Product OPENEYE NAME: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-thiazol-4-yl-propanoyl]amino]-4-[[(1S)-1-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-(4-thiazolyl)propyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutan
IUPAC NAME: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(1,3-thiazol-4-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylide
MOLECULAR FORMULA: C34H49N9O10S
MOLECULAR WEIGHT: 775.87216
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CSC=N1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
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Product OPENEYE NAME: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-4-methyl-6-methylsulfanyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: N-[[(2R)-1-butyl-2-pyrrolidinyl]methyl]-4-methyl-6-(methylthio)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-4-methyl-6-methylsulfanyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]-4-methyl-6-methylsulfanyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C20H31N3O2S
MOLECULAR WEIGHT: 377.54404
SMILES: CCCCN1CCC[C@@H]1CNC(=O)C2=CC(=CC3=C2OCCN3C)SC
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Product OPENEYE NAME: N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: 6-chloro-4-methyl-N-[[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-4-methyl-N-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C22H26ClN3O2
MOLECULAR WEIGHT: 399.91374
SMILES: CN1CCOC2=C1C=C(C=C2C(=O)NC[C@@H]3CCCN3CC4=CC=CC=C4)Cl
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Product OPENEYE NAME: 2-[(1S,4S)-4-benzyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CAS Name: 2-[(1S,4S)-1-ethyl-4-(phenylmethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
IUPAC NAME: 2-[(1S,4S)-4-benzyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
SYSTEMATIC NAME: 2-[(1S,4S)-1-ethyl-4-(phenylmethyl)-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]ethanoic acid
MOLECULAR FORMULA: C22H23NO3
MOLECULAR WEIGHT: 349.42292
SMILES: CC[C@@]1(C2=C([C@@H](CO1)CC3=CC=CC=C3)C4=CC=CC=C4N2)CC(=O)O
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Product OPENEYE NAME: ethyl 2-[5-(1,3-benzoxazol-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CAS Name: 2-[5-(1,3-benzoxazol-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[5-(1,3-benzoxazol-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[5-(1,3-benzoxazol-2-yl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]ethanoate
MOLECULAR FORMULA: C13H11N3O5
MOLECULAR WEIGHT: 289.24354
SMILES: CCOC(=O)CN1C(=O)OC(=N1)C2=NC3=CC=CC=C3O2
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Product OPENEYE NAME: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-(2-bromoprop-2-enoylamino)-2-methyl-pyrazole-3-carboxamide
CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-5-[(2-bromo-1-oxoprop-2-enyl)amino]-2-methyl-3-pyrazolecarboxamide
IUPAC NAME: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-5-(2-bromoprop-2-enoylamino)-2-methylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-5-(2-bromanylprop-2-enoylamino)-2-methyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C23H27BrN10O4
MOLECULAR WEIGHT: 587.42908
SMILES: CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=NN3C)NC(=O)C(=C)Br
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Product OPENEYE NAME: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-[2-[2-[(4-methoxyphenyl)methyl-(2-pyridyl)amino]ethyl-methyl-amino]ethylcarbamoyl]benzoic acid
CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-[[2-[2-[(4-methoxyphenyl)methyl-(2-pyridinyl)amino]ethyl-methylamino]ethylamino]-oxomethyl]benzoic acid
IUPAC NAME: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethylcarbamoyl]benzoic acid
SYSTEMATIC NAME: 5-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-yl-amino]ethyl-methyl-amino]ethylcarbamoyl]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid
MOLECULAR FORMULA: C39H36N4O7
MOLECULAR WEIGHT: 672.72574
SMILES: CN(CCNC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O)CCN(CC5=CC=C(C=C5)OC)C6=CC=CC=N6
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Product OPENEYE NAME: 5-butyl-2-(cyclopropylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
CAS Name: 5-butyl-2-(cyclopropylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid
IUPAC NAME: 5-butyl-2-(cyclopropylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-butyl-2-(cyclopropylmethyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C26H28N6O2
MOLECULAR WEIGHT: 456.53952
SMILES: CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)CC5CC5
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Product OPENEYE NAME: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(1S)-1-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid
CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxo
IUPAC NAME: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic
SYSTEMATIC NAME: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylide
MOLECULAR FORMULA: C34H50N10O10
MOLECULAR WEIGHT: 758.8218
SMILES: C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
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Product OPENEYE NAME: [(3aR,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinolin-6-ium-6-yl]-cyano-boranide
CAS Name: [(3aR,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinolin-6-ium-6-yl]-cyanoboranide
IUPAC NAME: [(3aR,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinolin-6-ium-6-yl]-cyanoboranide
SYSTEMATIC NAME: [(3aR,9bS)-1-methyl-2,3,3a,4,5,9b-hexahydropyrrolo[2,3-f]quinolin-6-ium-6-yl]-cyano-boranide
MOLECULAR FORMULA: C13H16BN3
MOLECULAR WEIGHT: 225.09724
SMILES: [B-](C#N)[N+]1=CC=CC2=C1CC[C@H]3[C@@H]2N(CC3)C
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Product OPENEYE NAME: (3aS,9bR)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinoline
CAS Name: (3aS,9bR)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinoline
IUPAC NAME: (3aS,9bR)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinoline
SYSTEMATIC NAME: (3aS,9bR)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-h]isoquinoline
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: C1CC2=C(C=NC=C2)[C@H]3[C@@H]1CCN3
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Product OPENEYE NAME: [6-(2,3-diacetoxypropoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methanesulfonic acid
CAS Name: [6-(2,3-diacetyloxypropoxy)-3,4,5-trihydroxy-2-oxanyl]methanesulfonic acid
IUPAC NAME: [6-(2,3-diacetyloxypropoxy)-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
SYSTEMATIC NAME: [6-(2,3-diacetyloxypropoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
MOLECULAR FORMULA: C13H22O12S
MOLECULAR WEIGHT: 402.37158
SMILES: CC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)C
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Product OPENEYE NAME: N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-4-methyl-6-methylsulfanyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: 4-methyl-6-(methylthio)-N-[[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-4-methyl-6-methylsulfanyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: 4-methyl-6-methylsulfanyl-N-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C23H29N3O2S
MOLECULAR WEIGHT: 411.56026
SMILES: CN1CCOC2=C1C=C(C=C2C(=O)NC[C@@H]3CCCN3CC4=CC=CC=C4)SC
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Product OPENEYE NAME: N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: 6-chloro-4-methyl-N-[[(2R)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-4-methyl-N-[[(2R)-1-(phenylmethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C22H26ClN3O2
MOLECULAR WEIGHT: 399.91374
SMILES: CN1CCOC2=C1C=C(C=C2C(=O)NC[C@H]3CCCN3CC4=CC=CC=C4)Cl
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Product OPENEYE NAME: 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: 6-chloro-N-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: 6-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C17H24ClN3O2
MOLECULAR WEIGHT: 337.84436
SMILES: CCN1CCC[C@@H]1CNC(=O)C2=CC(=CC3=C2OCCN3C)Cl
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Product OPENEYE NAME: 6-chloro-4-methyl-N-[[(2R)-1-nonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: 6-chloro-4-methyl-N-[[(2R)-1-nonyl-2-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: 6-chloro-4-methyl-N-[[(2R)-1-nonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-4-methyl-N-[[(2R)-1-nonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C24H38ClN3O2
MOLECULAR WEIGHT: 436.03042
SMILES: CCCCCCCCCN1CCC[C@@H]1CNC(=O)C2=CC(=CC3=C2OCCN3C)Cl
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Product OPENEYE NAME: 6-chloro-4-methyl-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CAS Name: 6-chloro-4-methyl-N-[[(2S)-1-nonyl-2-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
IUPAC NAME: 6-chloro-4-methyl-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-4-methyl-N-[[(2S)-1-nonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
MOLECULAR FORMULA: C24H38ClN3O2
MOLECULAR WEIGHT: 436.03042
SMILES: CCCCCCCCCN1CCC[C@H]1CNC(=O)C2=CC(=CC3=C2OCCN3C)Cl
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Product OPENEYE NAME: 6-isopropyl-3-[(4-isopropyl-6-methoxy-7-oxo-cyclohepta-1,3,5-trien-1-yl)-(4-methoxyphenyl)methyl]-2-methoxy-cyclohepta-2,4,6-trien-1-one
CAS Name: 2-methoxy-3-[(6-methoxy-7-oxo-4-propan-2-yl-1-cyclohepta-1,3,5-trienyl)-(4-methoxyphenyl)methyl]-6-propan-2-yl-1-cyclohepta-2,4,6-trienone
IUPAC NAME: 2-methoxy-3-[(6-methoxy-7-oxo-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 2-methoxy-3-[(6-methoxy-7-oxidanylidene-4-propan-2-yl-cyclohepta-1,3,5-trien-1-yl)-(4-methoxyphenyl)methyl]-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C30H34O5
MOLECULAR WEIGHT: 474.58796
SMILES: CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=CC=C(C=C(C3=O)OC)C(C)C)OC
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