CAS RN: 825-94-5
CAS Name: (2S)-1-(2,2-dimethyl-1-oxopropyl)-N-[(2S)-2-[methyl(propan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-1-(2,2-dimethylpropanoyl)-N-[(2S)-2-[isopropyl(methyl)amino]propanoyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-1-(2,2-dimethylpropanoyl)-N-[(2S)-2-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-(2,2-dimethylpropanoyl)-N-[(2S)-2-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C17H31N3O3
MOLECULAR WEIGHT: 325.44634
SMILES: C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C)N(C)C(C)C
Structure:
CAS RN: 77935-72-9
CAS Name: 1-(3-chloro-4-hydroxyphenyl)-5-methoxy-3-pyrazolecarboxamide
OPENEYE Name: 1-(3-chloro-4-hydroxy-phenyl)-5-methoxy-pyrazole-3-carboxamide
IUPAC Name: 1-(3-chloro-4-hydroxyphenyl)-5-methoxypyrazole-3-carboxamide
SYSTEMATIC NAME: 1-(3-chloranyl-4-oxidanyl-phenyl)-5-methoxy-pyrazole-3-carboxamide
MOLECULAR FORMULA: C11H10ClN3O3
MOLECULAR WEIGHT: 267.6684
SMILES: COC1=CC(=NN1C2=CC(=C(C=C2)O)Cl)C(=O)N
Structure:
CAS RN: 146145-22-4
CAS Name: (5R)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid phenyl ester
OPENEYE Name: phenyl (5R)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name: phenyl (5R)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
SYSTEMATIC NAME: phenyl (5R)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
MOLECULAR FORMULA: C21H22INO2
MOLECULAR WEIGHT: 447.30935
SMILES: CN1[C@@H]2CCC1CC(C2C(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)I
Structure:
CAS RN: 146033-02-5
CAS Name: 3-chloro-N'-(1-oxo-3-pyridin-4-ylpropyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide hydrochloride
OPENEYE Name: 3-chloro-N'-[3-(4-pyridyl)propanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide hydrochloride
IUPAC Name: 3-chloro-N'-(3-pyridin-4-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide hydrochloride
SYSTEMATIC NAME: 3-chloranyl-N'-(3-pyridin-4-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide hydrochloride
MOLECULAR FORMULA: C22H20Cl2N4O3
MOLECULAR WEIGHT: 459.3252
SMILES: C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCC4=CC=NC=C4)C=C(C=C3)Cl.Cl
Structure:
CAS RN: 145875-38-3
CAS Name: N-[5-[[[5-[[(3-amino-3-iminopropyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-4-[[2-oxiranyl(oxo)methyl]amino]-2-pyrrolecarboxamide
OPENEYE Name: N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(oxirane-2-carbonylamino)pyrrole-2-carboxamide
IUPAC Name: N-[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-(oxirane-2-carbonylamino)pyrrole-2-carboxamide
SYSTEMATIC NAME: N-[5-[[5-[(3-azanyl-3-azanylidene-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-(oxiran-2-ylcarbonylamino)pyrrole-2-carboxamide
MOLECULAR FORMULA: C24H29N9O5
MOLECULAR WEIGHT: 523.54436
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC(=O)C4CO4
Structure:
CAS RN: 145842-18-8
CAS Name: (3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
OPENEYE Name: (3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid
IUPAC Name: (3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
SYSTEMATIC NAME: (3R,5R)-7-[(1S,2R,3R,8S,8aR)-2-methyl-8-(2-methylbutanoyloxy)-3-oxidanyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoic acid
MOLECULAR FORMULA: C23H36O7
MOLECULAR WEIGHT: 424.52774
SMILES: CCC(C)C(=O)O[C@H]1CC=CC2=C[C@@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)O)O)O)C)O
Structure:
CAS RN: 145788-82-5
CAS Name: (2R)-2-[[(4S)-4-carboxy-4-[[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorophenyl]-oxomethyl]amino]-1-oxobutyl]amino]pentanedioic acid
OPENEYE Name: (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-benzoyl]amino]butanoyl]amino]pentanedioic acid
IUPAC Name: (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2R)-2-[[(4S)-4-[[4-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C31H32FN5O9
MOLECULAR WEIGHT: 637.612283
SMILES: CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)F
Structure:
CAS RN: 145644-13-9
CAS Name: 5-chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolecarboxamide
OPENEYE Name: 5-chloro-N-[2-(4-hydroxy-3-iodo-phenyl)ethyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
IUPAC Name: 5-chloro-N-[2-(4-hydroxy-3-iodophenyl)ethyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-[2-(3-iodanyl-4-oxidanyl-phenyl)ethyl]-2-propyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxamide
MOLECULAR FORMULA: C29H27ClIN7O2
MOLECULAR WEIGHT: 667.92785
SMILES: CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)NCCC5=CC(=C(C=C5)O)I)Cl
Structure:
CAS RN: 145621-08-5
CAS Name: 2-amino-9-(1,3-dihydroxypropoxy)-8-methyl-3H-purin-6-one
OPENEYE Name: 2-amino-9-(1,3-dihydroxypropoxy)-8-methyl-3H-purin-6-one
IUPAC Name: 2-amino-9-(1,3-dihydroxypropoxy)-8-methyl-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[1,3-bis(oxidanyl)propoxy]-8-methyl-3H-purin-6-one
MOLECULAR FORMULA: C9H13N5O4
MOLECULAR WEIGHT: 255.23062
SMILES: CC1=NC2=C(N1OC(CCO)O)NC(=NC2=O)N
Structure:
CAS RN: 145585-98-4
CAS Name: 4-[(6-amino-4-hydroxy-2-oxo-3-azepanyl)amino]-3-[[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropyl]-oxomethyl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[(6-amino-4-hydroxy-2-oxo-azepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxy-butyl)cyclopropanecarbonyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[(6-amino-4-hydroxy-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(6-azanyl-4-oxidanyl-2-oxidanylidene-azepan-3-yl)amino]-3-[[2-chloranyl-2-(1-chloranyl-3-oxidanyl-butyl)-3-(1-chloranyl-2-oxidanyl-2-oxidanylidene-ethyl)cyclopropyl]carbonylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C20H29Cl3N4O9
MOLECULAR WEIGHT: 575.82466
SMILES: CC(CC(C1(C(C1C(=O)NC(CC(=O)O)C(=O)NC2C(CC(CNC2=O)N)O)C(C(=O)O)Cl)Cl)Cl)O
Structure:
CAS RN: 145569-96-6
CAS Name: 4-[[6-(aminomethyl)-2-oxo-3-piperidinyl]amino]-3-[[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropyl]-oxomethyl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[6-(aminomethyl)-2-oxo-3-piperidyl]amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxy-butyl)cyclopropanecarbonyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[6-(aminomethyl)-2-oxopiperidin-3-yl]amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[6-(aminomethyl)-2-oxidanylidene-piperidin-3-yl]amino]-3-[[2-chloranyl-2-(1-chloranyl-3-oxidanyl-butyl)-3-(1-chloranyl-2-oxidanyl-2-oxidanylidene-ethyl)cyclopropyl]carbonylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C20H29Cl3N4O8
MOLECULAR WEIGHT: 559.82526
SMILES: CC(CC(C1(C(C1C(=O)NC(CC(=O)O)C(=O)NC2CCC(NC2=O)CN)C(C(=O)O)Cl)Cl)Cl)O
Structure:
CAS RN: 145543-03-9
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(1-oxo-2,2-diphenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
OPENEYE Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(2,2-diphenylethanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
MOLECULAR FORMULA: C30H27N3O5
MOLECULAR WEIGHT: 509.55248
SMILES: C1C(N(CC2=C1N(C=N2)CC3COC4=CC=CC=C4O3)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O
Structure:
CAS RN: 145523-59-7
CAS Name: (2S)-1-[2-[[[(2S)-1-[[(2S)-1-[(2S)-2-amino-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]-N-[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxom
OPENEYE Name: (2S)-1-[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]-N-[(1S)-1-[(2S)-2-[[(1S)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methyl-butyl]
IUPAC Name: (2S)-1-[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-m
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-[2-[[(2S)-1-[(2S)-1-[(2S)-2-azanyl-4-methyl-pentanoyl]pyrr
MOLECULAR FORMULA: C45H75N13O9
MOLECULAR WEIGHT: 942.1587
SMILES: CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)N5CCC[C@H]5C(=O)N)N
Structure:
CAS RN: 145514-01-8
CAS Name: 2-amino-9-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-purin-6-one
MOLECULAR FORMULA: C9H11N5O4
MOLECULAR WEIGHT: 253.21474
SMILES: C1[C@@H](O[C@@H](O1)CO)N2C=NC3=C2NC(=NC3=O)N
Structure:
CAS RN: 145512-35-2
CAS Name: (2R,4S)-4-(3-carboxypropyl)-2-piperidinecarboxylic acid
OPENEYE Name: (2R,4S)-4-(3-carboxypropyl)piperidine-2-carboxylic acid
IUPAC Name: (2R,4S)-4-(3-carboxypropyl)piperidine-2-carboxylic acid
SYSTEMATIC NAME: (2R,4S)-4-(4-oxidanyl-4-oxidanylidene-butyl)piperidine-2-carboxylic acid
MOLECULAR FORMULA: C10H17NO4
MOLECULAR WEIGHT: 215.24628
SMILES: C1CN[C@H](C[C@H]1CCCC(=O)O)C(=O)O
Structure:
CAS RN: 145452-14-8
CAS Name: (2S)-2-amino-3-[[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-propanoic acid
IUPAC Name: (2S)-2-amino-3-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-propanoic acid
MOLECULAR FORMULA: C15H27NO13
MOLECULAR WEIGHT: 429.37378
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O[C@H]2[C@H]([C@@H]([C@H](OC2OC[C@@H](C(=O)O)N)CO)O)O)O)O)O)O
Structure:
CAS RN: 145430-54-2
CAS Name: (8R,9S,10R,13S,14S)-17-hydroxy-17-(2-iodoethynyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S)-17-hydroxy-17-(2-iodoethynyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S)-17-hydroxy-17-(2-iodoethynyl)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-17-(2-iodanylethynyl)-10,13-dimethyl-17-oxidanyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H25IO2
MOLECULAR WEIGHT: 436.32647
SMILES: C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4(C#CI)O)C
Structure:
CAS RN: 145428-83-7
CAS Name: 2-trimethylsilyl-1-propanol
OPENEYE Name: 2-trimethylsilylpropan-1-ol
IUPAC Name: 2-trimethylsilylpropan-1-ol
SYSTEMATIC NAME: 2-trimethylsilylpropan-1-ol
MOLECULAR FORMULA: C6H16OSi
MOLECULAR WEIGHT: 132.27614
SMILES: CC(CO)[Si](C)(C)C
Structure:
CAS RN: 145398-57-8
CAS Name: (3R,6R)-3-hydroxy-6-(methylamino)-6-(2-methylpropyl)-3-(phenylmethyl)morpholine-2,5-dione
OPENEYE Name: (3R,6R)-3-benzyl-3-hydroxy-6-isobutyl-6-(methylamino)morpholine-2,5-dione
IUPAC Name: (3R,6R)-3-benzyl-3-hydroxy-6-(methylamino)-6-(2-methylpropyl)morpholine-2,5-dione
SYSTEMATIC NAME: (3R,6R)-6-(methylamino)-6-(2-methylpropyl)-3-oxidanyl-3-(phenylmethyl)morpholine-2,5-dione
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: CC(C)C[C@@]1(C(=O)N[C@](C(=O)O1)(CC2=CC=CC=C2)O)NC
Structure:
CAS RN: 145348-16-9
CAS Name: (3R)-N-methyl-1-[[4-[[(3R)-3-[[methyl-(phenylmethyl)amino]-oxomethyl]-1-piperidinyl]methyl]phenyl]methyl]-N-(phenylmethyl)-3-piperidinecarboxamide
OPENEYE Name: (3R)-N-benzyl-1-[[4-[[(3R)-3-[benzyl(methyl)carbamoyl]-1-piperidyl]methyl]phenyl]methyl]-N-methyl-piperidine-3-carboxamide
IUPAC Name: (3R)-N-benzyl-1-[[4-[[(3R)-3-[benzyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-methyl-1-[[4-[[(3R)-3-[methyl-(phenylmethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-(phenylmethyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C36H46N4O2
MOLECULAR WEIGHT: 566.77604
SMILES: CN(CC1=CC=CC=C1)C(=O)[C@@H]2CCCN(C2)CC3=CC=C(C=C3)CN4CCC[C@H](C4)C(=O)N(C)CC5=CC=CC=C5
Structure:
CAS RN: 145328-90-1
CAS Name: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(1-hydroxyethyl)-6-methyl-1H-pyridin-2-one
OPENEYE Name: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(1-hydroxyethyl)-6-methyl-1H-pyridin-2-one
IUPAC Name: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(1-hydroxyethyl)-6-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(1-hydroxyethyl)-6-methyl-1H-pyridin-2-one
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CC1=C(C=C(C(=O)N1)CCC2=NC3=CC=CC=C3O2)C(C)O
Structure:
CAS RN: 145308-04-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H19N3O6
MOLECULAR WEIGHT: 469.44556
SMILES: C[C@@]12[C@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)O)(CO)O
Structure:
CAS RN: 145307-64-8
CAS Name: (2R,3R,4S,5R,6R)-2-[2-[2-[2-[2-[2-[[(3R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxyphosphinothioyl]oxyethoxy]-6-(hydroxymethyl
OPENEYE Name: (2R,3R,4S,5R,6R)-2-[2-[2-[2-[2-[2-[[(3R,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-phosphinothioyl]oxyethoxy]-6-(hydroxymethyl)
IUPAC Name: (2R,3R,4S,5R,6R)-2-[2-[2-[2-[2-[2-[[(3R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxyphosphinothioyl]oxyethoxy]-6-(hydroxymethyl
SYSTEMATIC NAME: (2R,3R,4S,5R,6R)-2-[2-[2-[2-[2-[2-[[(3R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy-oxidanyl-phosphinothioyl]oxyethoxy]-6-(hydroxymeth
MOLECULAR FORMULA: C43H77O13PS
MOLECULAR WEIGHT: 865.102441
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@H](C4)OCCOCCOCCOCCOP(=S)(O)OCCO[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)C)C
Structure:
CAS RN: 145301-48-0
CAS Name: N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]-4-piperidinyl]propyl]-N-ethyl-2,2-dimethylpentanamide
OPENEYE Name: N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxo-ethyl]-4-piperidyl]propyl]-N-ethyl-2,2-dimethyl-pentanamide
IUPAC Name: N-[3-[1-[2-(8-chloro-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxoethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethylpentanamide
SYSTEMATIC NAME: N-[3-[1-[2-(8-chloranyl-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)-2-oxidanylidene-ethyl]piperidin-4-yl]propyl]-N-ethyl-2,2-dimethyl-pentanamide
MOLECULAR FORMULA: C31H42ClN5O3
MOLECULAR WEIGHT: 568.14988
SMILES: CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC1)CC(=O)N2C3=C(C=C(C=C3)Cl)C(=O)NC4=C2N=CC=C4
Structure:
CAS RN: 145274-94-8
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-methylamino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phen
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]ca
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]a
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-N-[(2S)-1-[[(2S)-1-azanyl-1-oxidany
MOLECULAR FORMULA: C55H78N14O11
MOLECULAR WEIGHT: 1111.29502
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)N(C)C(=O)[C@H](CC4=CC=C(C=C4)O)N
Structure:
CAS RN: 145253-48-1
CAS Name: 4-[[4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]amino]-2-[(4-hydroxy-3-iodophenyl)methyl]-4-oxobutanoic acid
OPENEYE Name: 4-[[1-benzyl-3-(hydroxyamino)-3-oxo-propyl]amino]-2-[(4-hydroxy-3-iodo-phenyl)methyl]-4-oxo-butanoic acid
IUPAC Name: 4-[[4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]amino]-2-[(4-hydroxy-3-iodophenyl)methyl]-4-oxobutanoic acid
SYSTEMATIC NAME: 2-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-4-[[4-(oxidanylamino)-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C21H23IN2O6
MOLECULAR WEIGHT: 526.32159
SMILES: C1=CC=C(C=C1)CC(CC(=O)NO)NC(=O)CC(CC2=CC(=C(C=C2)O)I)C(=O)O
Structure:
CAS RN: 145229-76-1
CAS Name: (2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,4-dioxobutyl]-2-pyr
OPENEYE Name: (2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxyl
SYSTEMATIC NAME: (2S)-1-[(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]
MOLECULAR FORMULA: C39H63N11O10
MOLECULAR WEIGHT: 845.98522
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)N
Structure:
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