Thursday, December 13, 2012

http://ChemLookup.com Compounds



CAS RN: 103528-66-1
CAS Name: (2S)-2-[[(4R)-4-[(3R,5R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: (2S)-2-[[(4R)-4-[(3R,5R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: (2S)-2-[[(4R)-4-[(3R,5R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(4R)-4-[(3R,5R,10S,12S,13R,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C33H49NO6
MOLECULAR WEIGHT: 555.74526
SMILES: C[C@H](CCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)[C@H]2CCC3[C@@]2([C@H](CC4C3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
Structure:
CAS RN: 103527-34-0
CAS Name: (2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-[(2-amino-1-oxoethyl)amino]-3-phenylpropanamide hydrochloride
OPENEYE Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-3-phenyl-propanamide hydrochloride
IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3-phenylpropanamide hydrochloride
SYSTEMATIC NAME: (2S)-2-(2-azanylethanoylamino)-N-[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide hydrochloride
MOLECULAR FORMULA: C14H21ClN4O4
MOLECULAR WEIGHT: 344.79394
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CO)C(=O)N)NC(=O)CN.Cl
Structure:
CAS RN: 103494-23-1
CAS Name: (3S)-3-acetamido-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-carboxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-(4-sulfooxypheny
OPENEYE Name: (3S)-3-acetamido-4-[[(1S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-carboxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-2-oxo-1-[(4-sulfooxyphenyl)methyl]ethyl]am
IUPAC Name: (3S)-3-acetamido-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminohexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]
SYSTEMATIC NAME: (3S)-3-acetamido-4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-azanylhexanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-1-oxidanylidene-3-(4-sulf
MOLECULAR FORMULA: C53H68N10O17S
MOLECULAR WEIGHT: 1149.22882
SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)N
Structure:
CAS RN: 103471-64-3
CAS Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid
OPENEYE Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methyl-anilino]acetic acid
IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid
SYSTEMATIC NAME: 2-[[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]-5-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-4-methyl-phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C32H33N3O15
MOLECULAR WEIGHT: 699.61552
SMILES: CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 103470-78-6
CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-carboxy-4-guanidino-butyl]amino]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C26H37N9O7
MOLECULAR WEIGHT: 587.62808
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 79867-76-8
CAS Name: 9-acetyl-6,9,11-trihydroxy-10-[[5-hydroxy-4-(4-methoxy-1-piperidinyl)-6-methyl-2-oxanyl]oxy]-1-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 9-acetyl-6,9,11-trihydroxy-10-[5-hydroxy-4-(4-methoxy-1-piperidyl)-6-methyl-tetrahydropyran-2-yl]oxy-1-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 9-acetyl-6,9,11-trihydroxy-10-[5-hydroxy-4-(4-methoxypiperidin-1-yl)-6-methyloxan-2-yl]oxy-1-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 9-ethanoyl-1-methoxy-10-[4-(4-methoxypiperidin-1-yl)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C33H39NO11
MOLECULAR WEIGHT: 625.66286
SMILES: CC1C(C(CC(O1)OC2C3=C(C4=C(C(=C3CCC2(C(=O)C)O)O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)N6CCC(CC6)OC)O
Structure:
CAS RN: 103470-60-6
CAS Name: (3R,6S,7S,8S)-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-2-oxaspiro[2.5]octane-6,7-diol
OPENEYE Name: (3R,6S,7S,8S)-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octane-6,7-diol
IUPAC Name: (3R,6S,7S,8S)-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octane-6,7-diol
SYSTEMATIC NAME: (3R,6S,7S,8S)-8-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octane-6,7-diol
MOLECULAR FORMULA: C15H24O4
MOLECULAR WEIGHT: 268.34866
SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@H](CC[C@]23CO3)O)O)C
Structure:
CAS RN: 103470-58-2
CAS Name: 10-[[4-(dimethylamino)-5-[(5-hydroxy-6-methyl-2-oxanyl)oxy]-6-methyl-2-oxanyl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 10-[4-(dimethylamino)-5-(5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 10-[4-(dimethylamino)-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 10-[4-(dimethylamino)-6-methyl-5-(6-methyl-5-oxidanyl-oxan-2-yl)oxy-oxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C34H43NO11
MOLECULAR WEIGHT: 641.70532
SMILES: CCC1(CCC2=C(C3=C(C(=C2C1OC4CC(C(C(O4)C)OC5CCC(C(O5)C)O)N(C)C)O)C(=O)C6=C(C3=O)C(=CC=C6)O)O)O
Structure:
CAS RN: 103470-57-1
CAS Name: 10-[[5-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 10-[5-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 10-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 10-[4-(dimethylamino)-6-methyl-5-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C34H43NO12
MOLECULAR WEIGHT: 657.70472
SMILES: CCC1(CCC2=C(C3=C(C(=C2C1OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)O)O)N(C)C)O)C(=O)C6=C(C3=O)C(=CC=C6)O)O)O
Structure:
CAS RN: 103446-98-6
CAS Name: 7-butyl-3-(methylamino)-4,6-dioxo-5-propyl-2-pyrazolo[3,4-d]pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 7-butyl-3-(methylamino)-4,6-dioxo-5-propyl-pyrazolo[3,4-d]pyrimidine-2-carboxylate
IUPAC Name: methyl 7-butyl-3-(methylamino)-4,6-dioxo-5-propylpyrazolo[3,4-d]pyrimidine-2-carboxylate
SYSTEMATIC NAME: methyl 7-butyl-3-(methylamino)-4,6-bis(oxidanylidene)-5-propyl-pyrazolo[3,4-d]pyrimidine-2-carboxylate
MOLECULAR FORMULA: C15H23N5O4
MOLECULAR WEIGHT: 337.37422
SMILES: CCCCN1C2=NN(C(=C2C(=O)N(C1=O)CCC)NC)C(=O)OC
Structure:
CAS RN: 103445-60-9
CAS Name: 8-[4-(4-fluoro-2-iodophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
OPENEYE Name: 8-[4-(4-fluoro-2-iodo-phenyl)-4-oxo-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
IUPAC Name: 8-[4-(4-fluoro-2-iodophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SYSTEMATIC NAME: 8-[4-(4-fluoranyl-2-iodanyl-phenyl)-4-oxidanylidene-butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
MOLECULAR FORMULA: C23H25FIN3O2
MOLECULAR WEIGHT: 521.366373
SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=C(C=C(C=C4)F)I
Structure:
CAS RN: 103438-45-5
CAS Name: 2,6-diamino-1,5-dihydroimidazo[4,5-c]pyridin-4-one
OPENEYE Name: 2,6-diamino-1,5-dihydroimidazo[4,5-c]pyridin-4-one
IUPAC Name: 2,6-diamino-1,5-dihydroimidazo[4,5-c]pyridin-4-one
SYSTEMATIC NAME: 2,6-bis(azanyl)-1,5-dihydroimidazo[4,5-c]pyridin-4-one
MOLECULAR FORMULA: C6H7N5O
MOLECULAR WEIGHT: 165.15268
SMILES: C1=C(NC(=O)C2=C1NC(=N2)N)N
Structure:
CAS RN: 103434-30-6
CAS Name: 4-[2-[4-[(2-hydroxy-3-phenoxypropyl)amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4-[2-[4-[(2-hydroxy-3-phenoxy-propyl)amino]butoxy]-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 4-[2-[4-[(2-hydroxy-3-phenoxypropyl)amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethyl-4-[5-nitro-2-[4-[(2-oxidanyl-3-phenoxy-propyl)amino]butoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C30H37N3O9
MOLECULAR WEIGHT: 583.62948
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCNCC(COC3=CC=CC=C3)O)C(=O)OC
Structure:
CAS RN: 103433-83-6
CAS Name: 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-[2-(4-morpholinyl)ethyl]acetamide
OPENEYE Name: 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-(2-morpholinoethyl)acetamide
IUPAC Name: 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
SYSTEMATIC NAME: 2-[2-chloranyl-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-(2-morpholin-4-ylethyl)ethanamide
MOLECULAR FORMULA: C18H23ClN4O4
MOLECULAR WEIGHT: 394.85262
SMILES: C1CC(=O)NN=C1C2=CC(=C(C=C2)OCC(=O)NCCN3CCOCC3)Cl
Structure:
CAS RN: 103433-42-7
CAS Name: (2R)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-[[(2S)-2-amino-1-oxo-3,3-dithiophen-2-ylpropyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]
OPENEYE Name: [2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl] (2R)-2-[[(2S)-2-amino-3,3-bis(2-thienyl)propanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-2-[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoy
IUPAC Name: [2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl] (2R)-2-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3,3-dithiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypr
SYSTEMATIC NAME: 2-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]ethanoyl (2R)-2-[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonyl-2-[[(2S)-2-azanyl-3,3-dithiophen-2-yl-propanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-
MOLECULAR FORMULA: C50H71N15O12S2
MOLECULAR WEIGHT: 1138.32204
SMILES: C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N(C(=O)[C@H](C(C2=CC=CS2)C3=CC=CS3)N)[C@](CCCN=C(N)N)(C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N)C(=O)OC(=O)CNC(=O)[C@@H]5C[C@H](CN5)O)N
Structure:
CAS RN: 103430-24-6
CAS Name: [3-[(3,4-dimethyl-9-oxo-2-thioxanthenyl)oxy]-2-hydroxypropyl]-trimethylammonium chloride
OPENEYE Name: [3-(3,4-dimethyl-9-oxo-thioxanthen-2-yl)oxy-2-hydroxy-propyl]-trimethyl-ammonium chloride
IUPAC Name: [3-(3,4-dimethyl-9-oxothioxanthen-2-yl)oxy-2-hydroxypropyl]-trimethylazanium chloride
SYSTEMATIC NAME: [3-(3,4-dimethyl-9-oxidanylidene-thioxanthen-2-yl)oxy-2-oxidanyl-propyl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C21H26ClNO3S
MOLECULAR WEIGHT: 407.95404
SMILES: CC1=C(C=C2C(=C1C)SC3=CC=CC=C3C2=O)OCC(C[N+](C)(C)C)O.[Cl-]
Structure:
CAS RN: 103426-87-5
CAS Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(hexadecylamino)-2-pyrimidinone
OPENEYE Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(hexadecylamino)pyrimidin-2-one
IUPAC Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hexadecylamino)pyrimidin-2-one
SYSTEMATIC NAME: 4-(hexadecylamino)-1-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C25H45N3O5
MOLECULAR WEIGHT: 467.6419
SMILES: CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 103424-99-3
CAS Name: N-[3-(2-methylpropoxy)-2-(1-methyl-1-pyrrolidin-1-iumyl)propyl]-N-(phenylmethyl)aniline bromide
OPENEYE Name: N-benzyl-N-[3-isobutoxy-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]aniline bromide
IUPAC Name: N-benzyl-N-[3-(2-methylpropoxy)-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]aniline bromide
SYSTEMATIC NAME: N-[3-(2-methylpropoxy)-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]-N-(phenylmethyl)aniline bromide
MOLECULAR FORMULA: C25H37BrN2O
MOLECULAR WEIGHT: 461.47808
SMILES: CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)[N+]3(CCCC3)C.[Br-]
Structure:
CAS RN: 103419-21-2
CAS Name: 4-(5-phenyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-yl)phenol
OPENEYE Name: 4-(5-phenyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-yl)phenol
IUPAC Name: 4-(5-phenyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-yl)phenol
SYSTEMATIC NAME: 4-(5-phenyl-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazol-5-yl)phenol
MOLECULAR FORMULA: C18H18N2O
MOLECULAR WEIGHT: 278.34832
SMILES: C1CC(N2C1=NCC2)(C3=CC=CC=C3)C4=CC=C(C=C4)O
Structure:
CAS RN: 103419-20-1
CAS Name: 4-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylcyclopropyl]-2-methoxyphenol
OPENEYE Name: 4-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-cyclopropyl]-2-methoxy-phenol
IUPAC Name: 4-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylcyclopropyl]-2-methoxyphenol
SYSTEMATIC NAME: 4-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-cyclopropyl]-2-methoxy-phenol
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: COC1=C(C=CC(=C1)C2(CC2C3=NCCN3)C4=CC=CC=C4)O
Structure:
CAS RN: 103417-69-2
CAS Name: 2-(1-imidazolylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester
OPENEYE Name: O3-ethyl O5-methyl 2-(imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 3-O-ethyl 5-O-methyl 2-(imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-ethyl O5-methyl 2-(imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C21H22N4O6
MOLECULAR WEIGHT: 426.42258
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CN3C=CN=C3
Structure:
CAS RN: 103412-40-4
CAS Name: (2R)-3-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-[[(2S)-2-amino-1-oxo-3-thiophen-2-ylpropyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-thiop
OPENEYE Name: (2R)-3-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3-(2-thienyl)propanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(2-thienyl)propanoyl]amino]-3-hydroxy-propano
IUPAC Name: (2R)-3-[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino
SYSTEMATIC NAME: (2R)-3-[(2S)-1-[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonyl-2-[[(2S)-2-azanyl-3-thiophen-2-yl-propanoyl]-[(2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-thiophen-2-yl-p
MOLECULAR FORMULA: C62H95N19O14S2
MOLECULAR WEIGHT: 1394.6666
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)C(=O)C(CCN=C(N)N)[C@@](C(=O)CNC(=O)[C@@H]2C[C@H](CN2)O)(C(=O)O)N(C(=O)[C@H](CC3=CC=CS3)N)C(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)N
Structure:
CAS RN: 103412-37-9
CAS Name: (2R,4S)-4-[[(2S)-6-amino-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxohexyl]amino]-2-[[(2S)-2-amino-3-(4-hydroxy-2-thiophenyl)-1-oxopropyl]-[1-oxo-2-[[oxo-[(2S)-1-[oxo-[(2S)-2-pyrrolidinyl]methyl]-2-pyrrolidinyl]methyl]amino]ethyl]amino]-7-(diaminomethylid
OPENEYE Name: [(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-(2-thienyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl] (2R,4S)-4-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[(2S)-2-amino-3-(4-hydroxy-2-thienyl)propanoyl]-[2-[[(2S)-1-[(2S)-p
IUPAC Name: [(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl] (2R,4S)-4-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[(2S)-2-amino-3-(4-hydroxythiophen-2-yl)propanoyl]-[2-[[(2S)-1-[(2S
SYSTEMATIC NAME: [(2R)-2-[[(2S)-2-[[(2S)-2-azanyl-3-thiophen-2-yl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl] (2R,4S)-4-[[(2S)-6-azanyl-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]hexanoyl]amino]-2-[[(2S)-2-azanyl-3-(4-oxidanylthiophen-2-yl)propanoyl]-[2-[
MOLECULAR FORMULA: C62H95N19O14S2
MOLECULAR WEIGHT: 1394.6666
SMILES: C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N(C(=O)[C@H](CC3=CC(=CS3)O)N)[C@](CCCN=C(N)N)(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)C(=O)OC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)N
Structure:
CAS RN: 103412-36-8
CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S,4R)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-4-hydroxy-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,4R)-1-[(2S)-2-[[(2R)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]-4-hydroxy-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(2-thienyl)propanoyl]amino]-3-hydro
IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S,4R)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thioph
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S,4R)-1-[(2S)-2-[[(2R)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylam
MOLECULAR FORMULA: C56H83N19O13S2
MOLECULAR WEIGHT: 1294.50772
SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)NCC(=O)N[C@@H](CC3=CC=CS3)C(=O)N[C@@H](CO)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CS5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 103370-21-4
CAS Name: 1,7,9,11-tetrahydroxy-8,13-dioxo-3-(2-oxopropyl)-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
OPENEYE Name: 3-acetonyl-1,7,9,11-tetrahydroxy-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
IUPAC Name: 1,7,9,11-tetrahydroxy-8,13-dioxo-3-(2-oxopropyl)-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
SYSTEMATIC NAME: 1,7,9,11-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-3-(2-oxidanylidenepropyl)-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
MOLECULAR FORMULA: C26H18O9
MOLECULAR WEIGHT: 474.41572
SMILES: CC(=O)CC1=C(C(=C2C(=C1)CCC3=C(C4=C(C=C32)C(=O)C5=CC(=CC(=C5C4=O)O)O)O)O)C(=O)O
Structure:
CAS RN: 103353-83-9
CAS Name: 3-ethoxypropanoic acid [(1R,2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl ester
OPENEYE Name: [(1R,2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxy-cyclopentyl]methyl 3-ethoxypropanoate
IUPAC Name: [(1R,2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl 3-ethoxypropanoate
SYSTEMATIC NAME: [(1R,2R,3R)-4-(6-aminopurin-9-yl)-2,3-bis(oxidanyl)cyclopentyl]methyl 3-ethoxypropanoate
MOLECULAR FORMULA: C16H23N5O5
MOLECULAR WEIGHT: 365.38432
SMILES: CCOCCC(=O)OC[C@H]1CC([C@H]([C@@H]1O)O)N2C=NC3=C2N=CN=C3N
Structure:
CAS RN: 84573-10-4
CAS Name: (6S,6aS)-4-hydroxy-6-(1H-indol-3-yl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
OPENEYE Name: (6S,6aS)-4-hydroxy-6-(1H-indol-3-yl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
IUPAC Name: (6S,6aS)-4-hydroxy-6-(1H-indol-3-yl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SYSTEMATIC NAME: (6S,6aS)-6-(1H-indol-3-yl)-4-oxidanyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
MOLECULAR FORMULA: C20H19N3O2
MOLECULAR WEIGHT: 333.38376
SMILES: C1C[C@H]2[C@@H](NC3=C(C=CC=C3O)C(=O)N2C1)C4=CNC5=CC=CC=C54
Structure:
CAS RN: 84228-93-3
CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C23H22N6O6
MOLECULAR WEIGHT: 478.45738
SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CC#N)CC2=CC3=C(C=C2)NC(=NC3=O)N
Structure:
CAS RN: 103335-44-0
CAS Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylic acid methyl ester
OPENEYE Name: methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
IUPAC Name: methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
SYSTEMATIC NAME: methyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxylate
MOLECULAR FORMULA: C21H31NO3
MOLECULAR WEIGHT: 345.47574
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CC[C@@H]4[C@@]3(C=CC(=O)N4C)C
Structure:
CAS RN: 105378-65-2
CAS Name: 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)acetaldehyde
OPENEYE Name: 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)acetaldehyde
IUPAC Name: 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)acetaldehyde
SYSTEMATIC NAME: 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanal
MOLECULAR FORMULA: C21H19NO
MOLECULAR WEIGHT: 301.38166
SMILES: C1CC2=C(C(=C(N2C1)CC=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 105369-89-9
CAS Name: (2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid
OPENEYE Name: (2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-pentanoic acid
IUPAC Name: (2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid
SYSTEMATIC NAME: (2R,4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-pentanoic acid
MOLECULAR FORMULA: C24H40O5
MOLECULAR WEIGHT: 408.5714
SMILES: C[C@H](C[C@H](C(=O)O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
Structure:
CAS RN: 105364-56-5
CAS Name: 3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid
OPENEYE Name: 3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid
IUPAC Name: 3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid
SYSTEMATIC NAME: 3-(4-oxidanyl-5-oxidanylidene-3-phenyl-2H-furan-2-yl)propanoic acid
MOLECULAR FORMULA: C13H12O5
MOLECULAR WEIGHT: 248.23138
SMILES: C1=CC=C(C=C1)C2=C(C(=O)OC2CCC(=O)O)O
Structure:
CAS RN: 105350-26-3
CAS Name: 2-[3-(2-quinolinylmethoxy)anilino]benzoic acid
OPENEYE Name: 2-[3-(2-quinolylmethoxy)anilino]benzoic acid
IUPAC Name: 2-[3-(quinolin-2-ylmethoxy)anilino]benzoic acid
SYSTEMATIC NAME: 2-[[3-(quinolin-2-ylmethoxy)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C23H18N2O3
MOLECULAR WEIGHT: 370.40062
SMILES: C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)NC4=CC=CC=C4C(=O)O
Structure:
CAS RN: 105346-34-7
CAS Name: 3-(4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoate
IUPAC Name: ethyl 3-(4-methoxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoate
SYSTEMATIC NAME: ethyl 3-(4-methoxy-5-oxidanylidene-3-phenyl-2H-furan-2-yl)propanoate
MOLECULAR FORMULA: C16H18O5
MOLECULAR WEIGHT: 290.31112
SMILES: CCOC(=O)CCC1C(=C(C(=O)O1)OC)C2=CC=CC=C2
Structure:
CAS RN: 105319-50-4
CAS Name: 2-[[2-(4-chlorophenoxy)-2-methyl-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl 2-[[2-(4-chlorophenoxy)-2-methyl-propanoyl]amino]-3-phenyl-propanoate
IUPAC Name: methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl 2-[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]amino]-3-phenyl-propanoate
MOLECULAR FORMULA: C20H22ClNO4
MOLECULAR WEIGHT: 375.84598
SMILES: CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)OC2=CC=C(C=C2)Cl
Structure:
CAS RN: 105284-17-1
CAS Name: N3,N3,N6,N6-tetramethyl-9-phenyl-9H-xanthene-3,6-diamine
OPENEYE Name: N3,N3,N6,N6-tetramethyl-9-phenyl-9H-xanthene-3,6-diamine
IUPAC Name: 3-N,3-N,6-N,6-N-tetramethyl-9-phenyl-9H-xanthene-3,6-diamine
SYSTEMATIC NAME: N3,N3,N6,N6-tetramethyl-9-phenyl-9H-xanthene-3,6-diamine
MOLECULAR FORMULA: C23H24N2O
MOLECULAR WEIGHT: 344.44946
SMILES: CN(C)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(C)C)C4=CC=CC=C4
Structure:

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