Product OPENEYE NAME: 3,5-dimethyl-5-phenyl-hexanoate
CAS Name: 3,5-dimethyl-5-phenylhexanoate
IUPAC NAME: 3,5-dimethyl-5-phenylhexanoate
SYSTEMATIC NAME: 3,5-dimethyl-5-phenyl-hexanoate
MOLECULAR FORMULA: C14H19O2-
MOLECULAR WEIGHT: 219.29946
SMILES: CC(CC(=O)[O-])CC(C)(C)C1=CC=CC=C1
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Product OPENEYE NAME: 3,5-dimethyl-5-phenyl-hexanoic acid
CAS Name: 3,5-dimethyl-5-phenylhexanoic acid
IUPAC NAME: 3,5-dimethyl-5-phenylhexanoic acid
SYSTEMATIC NAME: 3,5-dimethyl-5-phenyl-hexanoic acid
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: CC(CC(=O)O)CC(C)(C)C1=CC=CC=C1
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Product OPENEYE NAME: (1E,5E)-10-methoxy-1,5,10-trimethyl-cyclododeca-1,5-diene
CAS Name: (1E,5E)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene
IUPAC NAME: (1E,5E)-10-methoxy-1,5,10-trimethylcyclododeca-1,5-diene
SYSTEMATIC NAME: (1E,5E)-10-methoxy-1,5,10-trimethyl-cyclododeca-1,5-diene
MOLECULAR FORMULA: C16H28O
MOLECULAR WEIGHT: 236.39292
SMILES: C/C/1=C\CCCC(CC/C(=C/CC1)/C)(C)OC
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Product OPENEYE NAME: tert-butyl 2-[(2-amino-3-phenyl-propanoyl)-methoxycarbonyl-amino]-2-(2,7-ditert-butyl-10,10-dioxo-9H-thioxanthen-9-yl)-4-methyl-pentanoate
CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-methoxycarbonylamino]-2-(2,7-ditert-butyl-10,10-dioxo-9H-thioxanthen-9-yl)-4-methylpentanoic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[(2-amino-3-phenylpropanoyl)-methoxycarbonylamino]-2-(2,7-ditert-butyl-10,10-dioxo-9H-thioxanthen-9-yl)-4-methylpentanoate
SYSTEMATIC NAME: tert-butyl 2-[(2-azanyl-3-phenyl-propanoyl)-methoxycarbonyl-amino]-2-[2,7-ditert-butyl-10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl]-4-methyl-pentanoate
MOLECULAR FORMULA: C42H56N2O7S
MOLECULAR WEIGHT: 732.96824
SMILES: CC(C)CC(C1C2=C(C=CC(=C2)C(C)(C)C)S(=O)(=O)C3=C1C=C(C=C3)C(C)(C)C)(C(=O)OC(C)(C)C)N(C(=O)C(CC4=CC=CC=C4)N)C(=O)OC
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Product OPENEYE NAME: 9H-thioxanthen-9-ylmethyl formate
CAS Name: formic acid 9H-thioxanthen-9-ylmethyl ester
IUPAC NAME: 9H-thioxanthen-9-ylmethyl formate
SYSTEMATIC NAME: 9H-thioxanthen-9-ylmethyl methanoate
MOLECULAR FORMULA: C15H12O2S
MOLECULAR WEIGHT: 256.31958
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)COC=O
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Product OPENEYE NAME: (2,7-ditert-butyl-10,10-dioxo-9H-thioxanthen-9-yl) 2-[(2-aminoacetyl)-methoxycarbonyl-amino]acetate
CAS Name: 2-[(2-amino-1-oxoethyl)-methoxycarbonylamino]acetic acid (2,7-ditert-butyl-10,10-dioxo-9H-thioxanthen-9-yl) ester
IUPAC NAME: (2,7-ditert-butyl-10,10-dioxo-9H-thioxanthen-9-yl) 2-[(2-aminoacetyl)-methoxycarbonylamino]acetate
SYSTEMATIC NAME: [2,7-ditert-butyl-10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl] 2-[2-azanylethanoyl(methoxycarbonyl)amino]ethanoate
MOLECULAR FORMULA: C27H34N2O7S
MOLECULAR WEIGHT: 530.63306
SMILES: CC(C)(C)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2OC(=O)CN(C(=O)CN)C(=O)OC)C=C(C=C3)C(C)(C)C
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Product OPENEYE NAME: 2,7-ditert-butyl-3,9-dihydrothioxanthen-4-one
CAS Name: 2,7-ditert-butyl-3,9-dihydrothioxanthen-4-one
IUPAC NAME: 2,7-ditert-butyl-3,9-dihydrothioxanthen-4-one
SYSTEMATIC NAME: 2,7-ditert-butyl-3,9-dihydrothioxanthen-4-one
MOLECULAR FORMULA: C21H26OS
MOLECULAR WEIGHT: 326.49554
SMILES: CC(C)(C)C1=CC2=C(C(=O)C1)SC3=C(C2)C=C(C=C3)C(C)(C)C
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Product OPENEYE NAME: tert-butyl 2-[[2-[[2-[[2-amino-2-(2-tert-butyl-10,10-dioxo-9H-thioxanthen-9-yl)acetyl]-methoxycarbonyl-amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate
CAS Name: 2-[[2-[[2-[[2-amino-2-(2-tert-butyl-10,10-dioxo-9H-thioxanthen-9-yl)-1-oxoethyl]-methoxycarbonylamino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[[2-[[2-[[2-amino-2-(2-tert-butyl-10,10-dioxo-9H-thioxanthen-9-yl)acetyl]-methoxycarbonylamino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
SYSTEMATIC NAME: tert-butyl 2-[[2-[2-[[2-azanyl-2-[2-tert-butyl-10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl]ethanoyl]-methoxycarbonyl-amino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate
MOLECULAR FORMULA: C42H54N4O9S
MOLECULAR WEIGHT: 790.96456
SMILES: CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CN(C(=O)C(C2C3=CC=CC=C3S(=O)(=O)C4=C2C=C(C=C4)C(C)(C)C)N)C(=O)OC
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Product OPENEYE NAME: 2-[(2,7-ditert-butyl-10,10-dioxo-9H-thioxanthen-9-yl)-methoxycarbonyl-amino]-3-phenyl-propanoic acid
CAS Name: 2-[(2,7-ditert-butyl-10,10-dioxo-9H-thioxanthen-9-yl)-methoxycarbonylamino]-3-phenylpropanoic acid
IUPAC NAME: 2-[(2,7-ditert-butyl-10,10-dioxo-9H-thioxanthen-9-yl)-methoxycarbonylamino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[[2,7-ditert-butyl-10,10-bis(oxidanylidene)-9H-thioxanthen-9-yl]-methoxycarbonyl-amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C32H37NO6S
MOLECULAR WEIGHT: 563.70428
SMILES: CC(C)(C)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C2N(C(CC4=CC=CC=C4)C(=O)O)C(=O)OC)C=C(C=C3)C(C)(C)C
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Product OPENEYE NAME: 4-amino-2-tert-butyl-5-[[1-[[3-carboxy-1-[(2-methoxy-2-oxo-ethyl)carbamoyl]-4,4-dimethyl-pentyl]carbamoyl]-2-hydroxy-3,3-dimethyl-butyl]amino]-5-oxo-pentanoic acid
CAS Name: 4-amino-2-tert-butyl-5-[[1-[[4-carboxy-1-[(2-methoxy-2-oxoethyl)amino]-5,5-dimethyl-1-oxohexan-2-yl]amino]-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
IUPAC NAME: 4-amino-2-tert-butyl-5-[[1-[[4-carboxy-1-[(2-methoxy-2-oxoethyl)amino]-5,5-dimethyl-1-oxohexan-2-yl]amino]-3-hydroxy-4,4-dimethyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 4-azanyl-2-tert-butyl-5-[[1-[[4-carboxy-1-[(2-methoxy-2-oxidanylidene-ethyl)amino]-5,5-dimethyl-1-oxidanylidene-hexan-2-yl]amino]-4,4-dimethyl-3-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C28H50N4O10
MOLECULAR WEIGHT: 602.7174
SMILES: CC(C)(C)C(CC(C(=O)NC(C(C(C)(C)C)O)C(=O)NC(CC(C(=O)O)C(C)(C)C)C(=O)NCC(=O)OC)N)C(=O)O
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Product OPENEYE NAME: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoic acid
CAS Name: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methylpentanoic acid
IUPAC NAME: 2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[[2-[[2-[[5-azanyl-2-[[2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoic
MOLECULAR FORMULA: C31H56N12O11S
MOLECULAR WEIGHT: 804.91514
SMILES: CC(C)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)N)N
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Product OPENEYE NAME: 4-amino-4-[(2-methoxy-2-oxo-ethyl)carbamoyl]-5,5-dimethyl-hexanoic acid
CAS Name: 4-amino-4-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]-5,5-dimethylhexanoic acid
IUPAC NAME: 4-amino-4-[(2-methoxy-2-oxoethyl)carbamoyl]-5,5-dimethylhexanoic acid
SYSTEMATIC NAME: 4-azanyl-4-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]-5,5-dimethyl-hexanoic acid
MOLECULAR FORMULA: C12H22N2O5
MOLECULAR WEIGHT: 274.31348
SMILES: CC(C)(C)C(CCC(=O)O)(C(=O)NCC(=O)OC)N
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Product OPENEYE NAME: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-propanoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-4-carboxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-carboxy-butanoyl]amino]acetyl]amino]hexanoic acid
CAS Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-1-oxopropyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]-1-oxoethyl]amino]hexanoic ac
IUPAC NAME: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]hexanoic acid
SYSTEMATIC NAME: 6-azanyl-2-[2-[[2-[[2-[[2-[[2-[2-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethanoylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]
MOLECULAR FORMULA: C32H52N10O18
MOLECULAR WEIGHT: 864.81148
SMILES: C(CCN)CC(C(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)CNC(=O)C(CC(=O)O)N
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Product OPENEYE NAME: 4-[(2-amino-3-hydroxy-4,4-dimethyl-pentanoyl)amino]-2-tert-butyl-5-[(2-methoxy-2-oxo-ethyl)amino]-5-oxo-pentanoic acid
CAS Name: 4-[(2-amino-3-hydroxy-4,4-dimethyl-1-oxopentyl)amino]-2-tert-butyl-5-[(2-methoxy-2-oxoethyl)amino]-5-oxopentanoic acid
IUPAC NAME: 4-[(2-amino-3-hydroxy-4,4-dimethylpentanoyl)amino]-2-tert-butyl-5-[(2-methoxy-2-oxoethyl)amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 4-[(2-azanyl-4,4-dimethyl-3-oxidanyl-pentanoyl)amino]-2-tert-butyl-5-[(2-methoxy-2-oxidanylidene-ethyl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C19H35N3O7
MOLECULAR WEIGHT: 417.4971
SMILES: CC(C)(C)C(CC(C(=O)NCC(=O)OC)NC(=O)C(C(C(C)(C)C)O)N)C(=O)O
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Product OPENEYE NAME: 2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoic acid
CAS Name: 2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid
IUPAC NAME: 2-[[2-[[5-amino-2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: 2-[[2-[[5-azanyl-2-[[2-[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C25H45N11O10S
MOLECULAR WEIGHT: 691.7575
SMILES: CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)N)N
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Product OPENEYE NAME: 6-amino-3-chloro-1-methyl-cyclohexa-2,4-diene-1-sulfonic acid
CAS Name: 6-amino-3-chloro-1-methyl-1-cyclohexa-2,4-dienesulfonic acid
IUPAC NAME: 6-amino-3-chloro-1-methylcyclohexa-2,4-diene-1-sulfonic acid
SYSTEMATIC NAME: 6-azanyl-3-chloranyl-1-methyl-cyclohexa-2,4-diene-1-sulfonic acid
MOLECULAR FORMULA: C7H10ClNO3S
MOLECULAR WEIGHT: 223.6772
SMILES: CC1(C=C(C=CC1N)Cl)S(=O)(=O)O
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Product OPENEYE NAME: 8-amino-1-hydroxy-naphthalene-2,3-disulfonic acid
CAS Name: 8-amino-1-hydroxynaphthalene-2,3-disulfonic acid
IUPAC NAME: 8-amino-1-hydroxynaphthalene-2,3-disulfonic acid
SYSTEMATIC NAME: 8-azanyl-1-oxidanyl-naphthalene-2,3-disulfonic acid
MOLECULAR FORMULA: C10H9NO7S2
MOLECULAR WEIGHT: 319.31096
SMILES: C1=CC2=CC(=C(C(=C2C(=C1)N)O)S(=O)(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: (Z)-1-(aziridin-1-yl)-N-methyl-2-nitro-ethenamine
CAS Name: (Z)-1-(1-aziridinyl)-N-methyl-2-nitroethenamine
IUPAC NAME: (Z)-1-(aziridin-1-yl)-N-methyl-2-nitroethenamine
SYSTEMATIC NAME: (Z)-1-(aziridin-1-yl)-N-methyl-2-nitro-ethenamine
MOLECULAR FORMULA: C5H9N3O2
MOLECULAR WEIGHT: 143.14386
SMILES: CN/C(=C/[N+](=O)[O-])/N1CC1
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Product OPENEYE NAME: 2-chloro-4-iodo-1,3,2-dioxaphosphole
CAS Name: 2-chloro-4-iodo-1,3,2-dioxaphosphole
IUPAC NAME: 2-chloro-4-iodo-1,3,2-dioxaphosphole
SYSTEMATIC NAME: 2-chloranyl-4-iodanyl-1,3,2-dioxaphosphole
MOLECULAR FORMULA: C2HClIO2P
MOLECULAR WEIGHT: 250.359371
SMILES: C1=C(OP(O1)Cl)I
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