CAS RN: 137765-82-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25N3O
MOLECULAR WEIGHT: 323.432
SMILES: CCCCC1=C2C[C@@H]3C(=C[C@H](CN3C)C(=O)N)C4=C2C(=CC=C4)N1
Structure:
CAS RN: 137757-01-8
CAS Name: 3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,5-dihydro-1-benzazepin-2-one
OPENEYE Name: 3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,5-dihydro-1-benzazepin-2-one
IUPAC Name: 3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,5-dihydro-1-benzazepin-2-one
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-3-oxidanyl-6-(trifluoromethyl)-1,5-dihydro-1-benzazepin-2-one
MOLECULAR FORMULA: C18H14F3NO3
MOLECULAR WEIGHT: 349.30387
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC(=C3C2)C(F)(F)F)O
Structure:
CAS RN: 137718-15-1
CAS Name: 6-(diaminomethylideneamino)-4-[[(ethoxyamino)-oxomethyl]thio]hexanoate; phosphoric acid
OPENEYE Name: 4-(ethoxycarbamoylsulfanyl)-6-guanidino-hexanoate; phosphoric acid
IUPAC Name: 6-(diaminomethylideneamino)-4-(ethoxycarbamoylsulfanyl)hexanoate; phosphoric acid
SYSTEMATIC NAME: 6-[bis(azanyl)methylideneamino]-4-(ethoxycarbamoylsulfanyl)hexanoate; phosphoric acid
MOLECULAR FORMULA: C10H22N4O8PS-
MOLECULAR WEIGHT: 389.342441
SMILES: CCONC(=O)SC(CCC(=O)[O-])CCN=C(N)N.OP(=O)(O)O
Structure:
CAS RN: 137694-16-7
CAS Name: 1-[[2,7-bis[(2R,6S)-2,6-dimethyl-4-morpholinyl]-6-phenyl-4-pteridinyl]-(2-hydroxyethyl)amino]-2-methyl-2-propanol
OPENEYE Name: 1-[[2,7-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-phenyl-pteridin-4-yl]-(2-hydroxyethyl)amino]-2-methyl-propan-2-ol
IUPAC Name: 1-[[2,7-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-phenylpteridin-4-yl]-(2-hydroxyethyl)amino]-2-methylpropan-2-ol
SYSTEMATIC NAME: 1-[[2,7-bis[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-phenyl-pteridin-4-yl]-(2-hydroxyethyl)amino]-2-methyl-propan-2-ol
MOLECULAR FORMULA: C30H43N7O4
MOLECULAR WEIGHT: 565.70692
SMILES: C[C@@H]1CN(C[C@@H](O1)C)C2=NC3=C(C(=NC(=N3)N4C[C@H](O[C@H](C4)C)C)N(CCO)CC(C)(C)O)N=C2C5=CC=CC=C5
Structure:
CAS RN: 137656-90-7
CAS Name: propane-1,2,3-tricarboxylic acid tris(2,4-dibromo-6-methylphenyl) ester
OPENEYE Name: tris(2,4-dibromo-6-methyl-phenyl) propane-1,2,3-tricarboxylate
IUPAC Name: tris(2,4-dibromo-6-methylphenyl) propane-1,2,3-tricarboxylate
SYSTEMATIC NAME: tris[2,4-bis(bromanyl)-6-methyl-phenyl] propane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C27H20Br6O6
MOLECULAR WEIGHT: 919.8681
SMILES: CC1=CC(=CC(=C1OC(=O)CC(CC(=O)OC2=C(C=C(C=C2C)Br)Br)C(=O)OC3=C(C=C(C=C3C)Br)Br)Br)Br
Structure:
CAS RN: 137623-46-2
CAS Name: 2-[4-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-(1-piperidinyl)propyl]phenyl]guanidine
OPENEYE Name: 2-[4-[3-oxo-3-(1-piperidyl)-2-(p-tolylsulfonylamino)propyl]phenyl]guanidine
IUPAC Name: 2-[4-[2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-piperidin-1-ylpropyl]phenyl]guanidine
SYSTEMATIC NAME: 2-[4-[2-[(4-methylphenyl)sulfonylamino]-3-oxidanylidene-3-piperidin-1-yl-propyl]phenyl]guanidine
MOLECULAR FORMULA: C22H29N5O3S
MOLECULAR WEIGHT: 443.56236
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)N=C(N)N)C(=O)N3CCCCC3
Structure:
CAS RN: 137605-02-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H21Br2N3O7
MOLECULAR WEIGHT: 659.27954
SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)C2CC3=C4C5=C(N=CC5=C6C7=CC(=O)CC(=O)C7=NC6=C4N=C3C=C2Br)Br)CO
Structure:
CAS RN: 137592-26-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H26O9
MOLECULAR WEIGHT: 530.52204
SMILES: CC1=C2C3=C4C(=C(C(C(=O)C5=C4C6=C(C3=C(C(=C2C(=O)C)OC)O)C(=O)CC(=C6C(=C5)OC)OC)O)OC)C1
Structure:
CAS RN: 137566-83-7
CAS Name: [(2R)-2-acetyloxy-3-hexadecoxypropyl] 6-(trimethylammonio)hexyl phosphate
OPENEYE Name: [(2R)-2-acetoxy-3-hexadecoxy-propyl] 6-(trimethylammonio)hexyl phosphate
IUPAC Name: [(2R)-2-acetyloxy-3-hexadecoxypropyl] 6-(trimethylazaniumyl)hexyl phosphate
SYSTEMATIC NAME: [(2R)-2-acetyloxy-3-hexadecoxy-propyl] 6-(trimethylazaniumyl)hexyl phosphate
MOLECULAR FORMULA: C30H62NO7P
MOLECULAR WEIGHT: 579.789541
SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCCCCCC[N+](C)(C)C)OC(=O)C
Structure:
CAS RN: 137551-41-8
CAS Name: (4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-10-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
OPENEYE Name: (4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbo
IUPAC Name: (4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SYSTEMATIC NAME: (4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-5-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
MOLECULAR FORMULA: C40H64O12
MOLECULAR WEIGHT: 736.92896
SMILES: C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O)O
Structure:
CAS RN: 137550-92-6
CAS Name: 2-methyl-4-[2,8,15-trihydroxy-15-[5-(1-hydroxytridecyl)-2-oxolanyl]pentadecyl]-2H-furan-5-one
OPENEYE Name: 2-methyl-4-[2,8,15-trihydroxy-15-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]pentadecyl]-2H-furan-5-one
IUPAC Name: 2-methyl-4-[2,8,15-trihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl]-2H-furan-5-one
SYSTEMATIC NAME: 2-methyl-4-[2,8,15-tris(oxidanyl)-15-[5-(1-oxidanyltridecyl)oxolan-2-yl]pentadecyl]-2H-furan-5-one
MOLECULAR FORMULA: C37H68O7
MOLECULAR WEIGHT: 624.93162
SMILES: CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O
Structure:
CAS RN: 137550-88-0
CAS Name: 2-[3-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]propoxy]-4-[[oxo-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]amino]benzoic acid
OPENEYE Name: 2-[3-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]propoxy]-4-[(1,1,4,4-tetramethyltetralin-6-carbonyl)amino]benzoic acid
IUPAC Name: 2-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
SYSTEMATIC NAME: 2-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propoxy]-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonylamino]benzoic acid
MOLECULAR FORMULA: C37H43N3O6S
MOLECULAR WEIGHT: 657.81882
SMILES: CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C(=O)O)OCCCNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)(C)C)C
Structure:
CAS RN: 137550-80-2
CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methoxy-N-phenylbenzamide hydrochloride
OPENEYE Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-4-methoxy-N-phenyl-benzamide hydrochloride
IUPAC Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-methoxy-N-phenylbenzamide hydrochloride
SYSTEMATIC NAME: 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4-methoxy-N-phenyl-benzamide hydrochloride
MOLECULAR FORMULA: C21H29ClN2O4
MOLECULAR WEIGHT: 408.91896
SMILES: CC(C)(C)NCC(COC1=C(C=CC(=C1)OC)C(=O)NC2=CC=CC=C2)O.Cl
Structure:
CAS RN: 137530-61-1
CAS Name: (2S)-2-[[(2S)-3-hydroxy-2-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2S)-2-[[(2S)-3-hydroxy-2-[[2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-3-hydroxy-2-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-3-methyl-2-[[(2S)-2-[[4-methyl-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]butanoic acid
MOLECULAR FORMULA: C16H29N3O7
MOLECULAR WEIGHT: 375.41736
SMILES: CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O
Structure:
CAS RN: 137515-05-0
CAS Name: 4-[(2,5-dihydroxyphenyl)methylamino]benzamide
OPENEYE Name: 4-[(2,5-dihydroxyphenyl)methylamino]benzamide
IUPAC Name: 4-[(2,5-dihydroxyphenyl)methylamino]benzamide
SYSTEMATIC NAME: 4-[[2,5-bis(oxidanyl)phenyl]methylamino]benzamide
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: C1=CC(=CC=C1C(=O)N)NCC2=C(C=CC(=C2)O)O
Structure:
CAS RN: 137476-72-3
CAS Name: 5-(5-hydroxy-3-methoxy-2-benzofuranyl)-2-methoxybenzene-1,3-diol
OPENEYE Name: 5-(5-hydroxy-3-methoxy-benzofuran-2-yl)-2-methoxy-benzene-1,3-diol
IUPAC Name: 5-(5-hydroxy-3-methoxy-1-benzofuran-2-yl)-2-methoxybenzene-1,3-diol
SYSTEMATIC NAME: 2-methoxy-5-(3-methoxy-5-oxidanyl-1-benzofuran-2-yl)benzene-1,3-diol
MOLECULAR FORMULA: C16H14O6
MOLECULAR WEIGHT: 302.27876
SMILES: COC1=C(C=C(C=C1O)C2=C(C3=C(O2)C=CC(=C3)O)OC)O
Structure:
CAS RN: 137476-71-2
CAS Name: (2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,5-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R,4S)-1,2,4-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5R,9R,10R,11R,13R,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R,5S)-2,3,5-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5R,9R,10R,11R,13R,17S)-10,13-dimethyl-17-[(2R,3R,5S)-6-methyl-2,3,5-tris(oxidanyl)heptan-2-yl]-2,3,11,14-tetrakis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O8
MOLECULAR WEIGHT: 496.63346
SMILES: CC(C)[C@H](C[C@H]([C@@](C)([C@H]1CCC2([C@@]1(C[C@H]([C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C)O)O)O)O
Structure:
CAS RN: 137476-15-4
CAS Name: N-(cyanomethyl)-N-[(2R,6S)-2,6-dimethyl-1-piperidinyl]nitrous amide
OPENEYE Name: N-(cyanomethyl)-N-[(2R,6S)-2,6-dimethyl-1-piperidyl]nitrous amide
IUPAC Name: N-(cyanomethyl)-N-[(2R,6S)-2,6-dimethylpiperidin-1-yl]nitrous amide
SYSTEMATIC NAME: N-(cyanomethyl)-N-[(2R,6S)-2,6-dimethylpiperidin-1-yl]nitrous amide
MOLECULAR FORMULA: C9H16N4O
MOLECULAR WEIGHT: 196.24954
SMILES: C[C@@H]1CCC[C@@H](N1N(CC#N)N=O)C
Structure:
CAS RN: 137465-07-7
CAS Name: (2S)-2-[[[4-(1,3-diamino-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-8-yl)phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-(1,3-diamino-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-8-yl)benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-(1,3-diamino-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-8-yl)benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[1,3-bis(azanyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-8-yl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C23H24N6O5
MOLECULAR WEIGHT: 464.47386
SMILES: C1CC2=C3C(=NC(=NC3=NC=C2CC1C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)N
Structure:
CAS RN: 137464-44-9
CAS Name: hexadecanoic acid [2-[hydroxy(methoxy)phosphoryl]oxy-3-(2,2,2-trifluoroethoxy)propyl] ester
OPENEYE Name: [2-[hydroxy(methoxy)phosphoryl]oxy-3-(2,2,2-trifluoroethoxy)propyl] hexadecanoate
IUPAC Name: [2-[hydroxy(methoxy)phosphoryl]oxy-3-(2,2,2-trifluoroethoxy)propyl] hexadecanoate
SYSTEMATIC NAME: [2-[methoxy(oxidanyl)phosphoryl]oxy-3-[2,2,2-tris(fluoranyl)ethoxy]propyl] hexadecanoate
MOLECULAR FORMULA: C22H42F3O7P
MOLECULAR WEIGHT: 506.533651
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COCC(F)(F)F)OP(=O)(O)OC
Structure:
CAS RN: 137442-15-0
CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-2-[[(2S)-2-(methylamino)-1-oxohexyl]amino]-1-oxopropyl]-[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(methylamino)-1-oxohexyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]
OPENEYE Name: (3S)-3-amino-4-[[(1S)-2-[[(1S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-(methylamino)hexanoyl]amino]propanoyl]-[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(methylamino)hexanoyl]amino]acetyl]amino]propanoyl]amino]-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]amino]-1-[(4-hydroxy
IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-2-[[(2S)-2-(methylamino)hexanoyl]amino]propanoyl]-[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-(methylamino)hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphen
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[2-[[(2S)-2-(methylamino)hexanoyl]amino]ethanoylamino]propanoyl]-[(2S)-2-[[(2S)-2-(methylamino)hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-nitrophenyl)-1-
MOLECULAR FORMULA: C53H69N11O15
MOLECULAR WEIGHT: 1100.17966
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N(C(=O)[C@H](CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(=O)O)N)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCC)NC)NC
Structure:
CAS RN: 137442-09-2
CAS Name: 17-fluoro-3-methylheptadecanoic acid
OPENEYE Name: 17-fluoro-3-methyl-heptadecanoic acid
IUPAC Name: 17-fluoro-3-methylheptadecanoic acid
SYSTEMATIC NAME: 17-fluoranyl-3-methyl-heptadecanoic acid
MOLECULAR FORMULA: C18H35FO2
MOLECULAR WEIGHT: 302.467703
SMILES: CC(CCCCCCCCCCCCCCF)CC(=O)O
Structure:
CAS RN: 137437-16-2
CAS Name: (8S,13S,14S)-13-methyl-10-[2-(methylthio)ethyl]-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8S,13S,14S)-13-methyl-10-(2-methylsulfanylethyl)-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8S,13S,14S)-13-methyl-10-(2-methylsulfanylethyl)-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8S,13S,14S)-13-methyl-10-(2-methylsulfanylethyl)-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C21H28O2S
MOLECULAR WEIGHT: 344.51082
SMILES: C[C@]12CC=C3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CCC43CCSC
Structure:
CAS RN: 137427-72-6
CAS Name: 1-[[(5S)-2-hydroxy-2-oxo-1,4,2$l^{5}-dioxaphosphorinan-5-yl]methyl]-4-imidazo[4,5-c]pyridinamine
OPENEYE Name: 1-[[(5S)-2-hydroxy-2-oxo-1,4,2$l^{5}-dioxaphosphinan-5-yl]methyl]imidazo[4,5-c]pyridin-4-amine
IUPAC Name: 1-[[(5S)-2-hydroxy-2-oxo-1,4,2$l^{5}-dioxaphosphinan-5-yl]methyl]imidazo[4,5-c]pyridin-4-amine
SYSTEMATIC NAME: 1-[[(5S)-2-oxidanyl-2-oxidanylidene-1,4,2$l^{5}-dioxaphosphinan-5-yl]methyl]imidazo[4,5-c]pyridin-4-amine
MOLECULAR FORMULA: C10H13N4O4P
MOLECULAR WEIGHT: 284.208381
SMILES: C1[C@@H](OCP(=O)(O1)O)CN2C=NC3=C2C=CN=C3N
Structure:
CAS RN: 137403-12-4
CAS Name: N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
OPENEYE Name: N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
IUPAC Name: N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-[[5-[3-(2-azanylethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
MOLECULAR FORMULA: C20H21N5O3S
MOLECULAR WEIGHT: 411.47744
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)CC2=NOC(=N2)C3=CC4=C(C=C3)NC=C4CCN
Structure:
CAS RN: 137372-38-4
CAS Name: (2S)-1-[(2S)-2-[[2-[[[(2S)-1-[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[2-[[(2S)-1-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C32H40N6O8
MOLECULAR WEIGHT: 636.6954
SMILES: C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)O
Structure:
CAS RN: 137372-37-3
CAS Name: (2S)-1-[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C35H46N6O8
MOLECULAR WEIGHT: 678.77514
SMILES: CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
Structure:
CAS RN: 137372-36-2
CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C36H48N6O8
MOLECULAR WEIGHT: 692.80172
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)O)N
Structure:
CAS RN: 137372-20-4
CAS Name: 2-acetamidonaphthalene-1,5-disulfonate
OPENEYE Name: 2-acetamidonaphthalene-1,5-disulfonate
IUPAC Name: 2-acetamidonaphthalene-1,5-disulfonate
SYSTEMATIC NAME: 2-acetamidonaphthalene-1,5-disulfonate
MOLECULAR FORMULA: C12H9NO7S2-2
MOLECULAR WEIGHT: 343.33236
SMILES: CC(=O)NC1=C(C2=C(C=C1)C(=CC=C2)S(=O)(=O)[O-])S(=O)(=O)[O-]
Structure:
CAS RN: 137372-00-0
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-amino-1,4-dioxobutyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C25H37N5O8
MOLECULAR WEIGHT: 535.58998
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)C)O
Structure:
CAS RN: 137350-94-8
CAS Name: (2S)-6-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-hydroxy-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]hexanamide
OPENEYE Name: (2S)-6-amino-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-2-[[(2S)-2-[[(2S)-2-hydroxy-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide
IUPAC Name: (2S)-6-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
SYSTEMATIC NAME: (2S)-6-azanyl-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-2-oxidanyl-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide
MOLECULAR FORMULA: C27H37N5O5
MOLECULAR WEIGHT: 511.61318
SMILES: C[C@@H](C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)O
Structure:
CAS RN: 137339-24-3
CAS Name: (2R,3R,4S,5R)-2-[2-amino-7-[oxido(4-quinolinyl)ammonio]-6-oxo-3H-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)-3-oxolanolate
OPENEYE Name: (2R,3R,4S,5R)-2-[2-amino-7-[oxido(4-quinolyl)ammonio]-6-oxo-3H-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-olate
IUPAC Name: (2R,3R,4S,5R)-2-[2-amino-7-[oxido(quinolin-4-yl)azaniumyl]-6-oxo-3H-purin-9-ium-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-olate
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-[2-azanyl-7-[oxidanidyl(quinolin-4-yl)azaniumyl]-6-oxidanylidene-3H-purin-9-ium-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-olate
MOLECULAR FORMULA: C19H19N7O6
MOLECULAR WEIGHT: 441.39746
SMILES: C1=CC=C2C(=C1)C(=CC=N2)[NH+](N3C=[N+](C4=C3C(=O)N=C(N4)N)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)[O-])[O-]
Structure:
CAS RN: 137328-52-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H33N3O2
MOLECULAR WEIGHT: 395.53772
SMILES: CC(C)N1C=C2C[C@@H]3C(C[C@H](CN3C)C(=O)N[C@H]4CCC[C@H]4O)C5=C2C1=CC=C5
Structure:
CAS RN: 137319-26-7
CAS Name: 2-amino-N-(3-aminopropyl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
OPENEYE Name: 2-amino-N-(3-aminopropyl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
IUPAC Name: 2-amino-N-(3-aminopropyl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 2-azanyl-N-(3-azanylpropyl)-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C10H14N6O2
MOLECULAR WEIGHT: 250.25716
SMILES: C1=C(C2=C(N1)NC(=NC2=O)N)C(=O)NCCCN
Structure:
CAS RN: 137319-25-6
CAS Name: 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
OPENEYE Name: 2-amino-N-(3-amino-3-imino-propyl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
IUPAC Name: 2-amino-N-(3-amino-3-iminopropyl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SYSTEMATIC NAME: 2-azanyl-N-(3-azanyl-3-azanylidene-propyl)-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
MOLECULAR FORMULA: C10H13N7O2
MOLECULAR WEIGHT: 263.25592
SMILES: C1=C(C2=C(N1)NC(=NC2=O)N)C(=O)NCCC(=N)N
Structure:
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