CAS RN: 141363-22-6
CAS Name: 2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1-methyl-5-nitroimidazole
OPENEYE Name: 1-methyl-5-nitro-2-[(Z)-tetralin-1-ylidenemethyl]imidazole
IUPAC Name: 2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1-methyl-5-nitroimidazole
SYSTEMATIC NAME: 2-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-1-methyl-5-nitro-imidazole
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CN1C(=CN=C1/C=C\2/CCCC3=CC=CC=C32)[N+](=O)[O-]
Structure:
CAS RN: 141363-21-5
CAS Name: 2-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1-methyl-5-nitroimidazole
OPENEYE Name: 2-[(E)-indan-1-ylidenemethyl]-1-methyl-5-nitro-imidazole
IUPAC Name: 2-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1-methyl-5-nitroimidazole
SYSTEMATIC NAME: 2-[(E)-2,3-dihydroinden-1-ylidenemethyl]-1-methyl-5-nitro-imidazole
MOLECULAR FORMULA: C14H13N3O2
MOLECULAR WEIGHT: 255.27192
SMILES: CN1C(=CN=C1/C=C/2\CCC3=CC=CC=C32)[N+](=O)[O-]
Structure:
CAS RN: 139953-58-5
CAS Name: 3-[(1R,2S,4aR,6S,8R,8aS)-2-[(E,2S,3R,4S)-4-hydroxy-3,5-dimethyl-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]oct-5-enyl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxopropanal
OPENEYE Name: 3-[(1R,2S,4aR,6S,8R,8aS)-2-[(E,2S,3R,4S)-4-hydroxy-3,5-dimethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-oct-5-enyl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxo-propanal
IUPAC Name: 3-[(1R,2S,4aR,6S,8R,8aS)-2-[(E,2S,3R,4S)-4-hydroxy-3,5-dimethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-5-enyl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxopropanal
SYSTEMATIC NAME: 3-[(1R,2S,4aR,6S,8R,8aS)-2-[(E,2S,3R,4S)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-dimethyl-4-oxidanyl-oct-5-enyl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxidanylidene-propanal
MOLECULAR FORMULA: C33H54O9
MOLECULAR WEIGHT: 594.77646
SMILES: CC/C=C(\C)/[C@H]([C@@H](C)[C@H](C[C@H]1C(=C[C@H]2C[C@H](C[C@H]([C@@H]2[C@@]1(C)C(=O)CC=O)C)C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Structure:
CAS RN: 137888-34-7
CAS Name: (3Z)-1-methyl-3-[(1-methyl-5-nitro-2-imidazolyl)methylidene]-2-azepanone
OPENEYE Name: (3Z)-1-methyl-3-[(1-methyl-5-nitro-imidazol-2-yl)methylene]azepan-2-one
IUPAC Name: (3Z)-1-methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one
SYSTEMATIC NAME: (3Z)-1-methyl-3-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]azepan-2-one
MOLECULAR FORMULA: C12H16N4O3
MOLECULAR WEIGHT: 264.28044
SMILES: CN1CCCC/C(=C/C2=NC=C(N2C)[N+](=O)[O-])/C1=O
Structure:
CAS RN: 137866-27-4
CAS Name: (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-propenoic acid [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
OPENEYE Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
IUPAC Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
MOLECULAR FORMULA: C32H44Cl2N2O3
MOLECULAR WEIGHT: 575.60936
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)/C=C/C5=CC=C(C=C5)N(CCCl)CCCl
Structure:
CAS RN: 137866-25-2
CAS Name: (E)-3-[2-[bis(2-chloroethyl)amino]phenyl]-2-propenoic acid [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
OPENEYE Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[2-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
IUPAC Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[2-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[2-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
MOLECULAR FORMULA: C32H44Cl2N2O3
MOLECULAR WEIGHT: 575.60936
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)/C=C/C5=CC=CC=C5N(CCCl)CCCl
Structure:
CAS RN: 131086-53-8
CAS Name: 2-amino-N-[(8E,15Z)-6-(3-aminopropyl)-15-ethylidene-8-hydroxy-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methylpropyl)-9-[1H-indol-3-yl(oxo)methyl]-2,5,11,14,17,20,23,26-octaoxo-3-(phenylmethyl)-28-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25
OPENEYE Name: 2-amino-N-[(8E,15Z)-6-(3-aminopropyl)-3-benzyl-15-ethylidene-8-hydroxy-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methyl-propyl)-9-(1H-indole-3-carbonyl)-28-isopropyl-2,5,11,14,17,20,23,26-octaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacycloo
IUPAC Name: 2-amino-N-[(8E,15Z)-6-(3-aminopropyl)-3-benzyl-15-ethylidene-8-hydroxy-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methylpropyl)-9-(1H-indole-3-carbonyl)-2,5,11,14,17,20,23,26-octaoxo-28-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25-octazacyclo
SYSTEMATIC NAME: 2-azanyl-N-[(8E,15Z)-6-(3-azanylpropyl)-15-ethylidene-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-9-(1H-indol-3-ylcarbonyl)-18-(2-methyl-1-oxidanyl-propyl)-8-oxidanyl-2,5,11,14,17,20,23,26-octakis(oxidanylidene)-3-(phenylmethyl)-28-propan-2-yl-1-oxa-4,7,
MOLECULAR FORMULA: C57H82N12O16
MOLECULAR WEIGHT: 1191.33178
SMILES: CCC(C)C(C(=O)NC1C(OC(=O)C(NC(=O)C(N/C(=C(\NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)O)CO)C(C(C)C)O)CO)/C(=O)C2=CNC3=CC=CC=C32)/O)CCCN)CC4=CC=CC=C4)C(C)C)N
Structure:
CAS RN: 131086-52-7
CAS Name: 2-amino-N-[(15Z)-6-(3-aminopropyl)-15-ethylidene-24-(1-hydroxyethyl)-9-[hydroxy(1H-indol-3-yl)methyl]-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-3-(phenylmethyl)-28-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25-octaza
OPENEYE Name: 2-amino-N-[(15Z)-6-(3-aminopropyl)-3-benzyl-15-ethylidene-24-(1-hydroxyethyl)-9-[hydroxy(1H-indol-3-yl)methyl]-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methyl-propyl)-28-isopropyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacycloocta
IUPAC Name: 2-amino-N-[(15Z)-6-(3-aminopropyl)-3-benzyl-15-ethylidene-24-(1-hydroxyethyl)-9-[hydroxy(1H-indol-3-yl)methyl]-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooct
SYSTEMATIC NAME: 2-azanyl-N-[(15Z)-6-(3-azanylpropyl)-15-ethylidene-24-(1-hydroxyethyl)-12,21-bis(hydroxymethyl)-9-[1H-indol-3-yl(oxidanyl)methyl]-18-(2-methyl-1-oxidanyl-propyl)-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-3-(phenylmethyl)-28-propan-2-yl-1-oxa-4,7,10,1
MOLECULAR FORMULA: C57H84N12O16
MOLECULAR WEIGHT: 1193.34766
SMILES: CCC(C)C(C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)O)CO)C(C(C)C)O)CO)C(C2=CNC3=CC=CC=C32)O)CCCN)CC4=CC=CC=C4)C(C)C)N
Structure:
CAS RN: 123060-44-6
CAS Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid octyl ester; (E)-2-butenedioic acid
OPENEYE Name: fumaric acid; octyl (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate
IUPAC Name: (E)-but-2-enedioic acid; octyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate
SYSTEMATIC NAME: (E)-but-2-enedioic acid; octyl (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylate
MOLECULAR FORMULA: C35H52N2O9
MOLECULAR WEIGHT: 644.79538
SMILES: CCCCCCCCOC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 122005-25-8
CAS Name: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-1,19-dioxooctacosa-12,14,20,22-tetraenyl]amino]acetic acid
OPENEYE Name: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-19-oxo-octacosa-12,14,20,22-tetraenoyl]amino]acetic acid
IUPAC Name: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-19-oxooctacosa-12,14,20,22-tetraenoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(oxidanyl)amino]-2,3,5,7-tetrakis(oxidanyl)-19-oxidanylidene-octacosa-12,14,20,22-tetraenoyl]amino]ethanoic acid
MOLECULAR FORMULA: C31H52N4O9
MOLECULAR WEIGHT: 624.76598
SMILES: C(CC/C=C/C=C/C(=O)CCC/C=C/C=C/CCCCC(CC(CC(C(C(=O)NCC(=O)O)O)O)O)O)CCN(C(=N)N)O
Structure:
CAS RN: 120527-86-8
CAS Name: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-8-methyl-1,19-dioxooctacosa-12,14,20,22-tetraenyl]amino]acetic acid
OPENEYE Name: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-8-methyl-19-oxo-octacosa-12,14,20,22-tetraenoyl]amino]acetic acid
IUPAC Name: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-8-methyl-19-oxooctacosa-12,14,20,22-tetraenoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(oxidanyl)amino]-8-methyl-2,3,5,7-tetrakis(oxidanyl)-19-oxidanylidene-octacosa-12,14,20,22-tetraenoyl]amino]ethanoic acid
MOLECULAR FORMULA: C32H54N4O9
MOLECULAR WEIGHT: 638.79256
SMILES: CC(CCC/C=C/C=C/CCCC(=O)/C=C/C=C/CCCCCN(C(=N)N)O)C(CC(CC(C(C(=O)NCC(=O)O)O)O)O)O
Structure:
CAS RN: 122005-24-7
CAS Name: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-8-methyl-1,19-dioxooctacosa-12,14,20,22-tetraenyl]amino]acetic acid
OPENEYE Name: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-8-methyl-19-oxo-octacosa-12,14,20,22-tetraenoyl]amino]acetic acid
IUPAC Name: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-8-methyl-19-oxooctacosa-12,14,20,22-tetraenoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(oxidanyl)amino]-8-methyl-2,3,5,7-tetrakis(oxidanyl)-19-oxidanylidene-octacosa-12,14,20,22-tetraenoyl]amino]ethanoic acid
MOLECULAR FORMULA: C32H54N4O9
MOLECULAR WEIGHT: 638.79256
SMILES: CC(CCC/C=C/C=C/CCCC(=O)/C=C/C=C/CCCCCN(C(=N)N)O)C(CC(CC(C(C(=O)NCC(=O)O)O)O)O)O
Structure:
CAS RN: 117184-53-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H33NO6
MOLECULAR WEIGHT: 419.51122
SMILES: CCCCCC[C@@H](C)/C=C(\C)/C=C/C(=O)NC1CC2([C@@H]3[C@@H](O3)C(=O)[C@@H]4[C@H]2O4)OC1O
Structure:
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