CAS RN: 41871-63-0
CAS Name: cobalt(3+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]pro
OPENEYE Name: cobaltic; [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21
IUPAC Name: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoyla
SYSTEMATIC NAME: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-co
MOLECULAR FORMULA: C64H91CoN13O15P
MOLECULAR WEIGHT: 1372.392401
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.C=C[O-].[Co+3]
Structure:
CAS RN: 41590-65-2
CAS Name: (E)-N-[4-[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propylamino]butyl]-3-phenyl-2-propenamide
OPENEYE Name: (E)-3-phenyl-N-[4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propylamino]butyl]prop-2-enamide
IUPAC Name: (E)-3-phenyl-N-[4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propylamino]butyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-phenyl-N-[4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propylamino]butyl]prop-2-enamide
MOLECULAR FORMULA: C25H31N3O2
MOLECULAR WEIGHT: 405.53254
SMILES: C1=CC=C(C=C1)/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 40665-49-4
CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-2-pyrrolidinimine; (Z)-2-methoxy-2-butenedioic acid
OPENEYE Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine; (Z)-2-methoxybut-2-enedioic acid
IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine; (Z)-2-methoxybut-2-enedioic acid
SYSTEMATIC NAME: N-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-pyrrolidin-2-imine; (Z)-2-methoxybut-2-enedioic acid
MOLECULAR FORMULA: C22H32N2O7
MOLECULAR WEIGHT: 436.49868
SMILES: CCOC1=C(C=C(C=C1)CCN=C2CCCN2C)OCC.CO/C(=C\C(=O)O)/C(=O)O
Structure:
CAS RN: 40615-47-2
CAS Name: 3-methylbutanoic acid [6-[[4-(dimethylamino)-5-hydroxy-6-[[(11Z,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(11Z,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] 3-methylbutanoate
IUPAC Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(11Z,13E)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
SYSTEMATIC NAME: [6-[4-(dimethylamino)-6-[[(11Z,13E)-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] 3-methylbutanoate
MOLECULAR FORMULA: C43H71NO15
MOLECULAR WEIGHT: 842.02154
SMILES: CCC(=O)OC1CC(=O)OC(C/C=C/C=C\C(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O)C
Structure:
CAS RN: 167697-52-1
CAS Name: (5E,8E,10R,11E,14E)-10-hydroxyeicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5E,8E,10R,11E,14E)-10-hydroxyicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5E,8E,10R,11E,14E)-10-hydroxyicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5E,8E,10R,11E,14E)-10-oxidanylicosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCC/C=C/C/C=C/[C@H](/C=C/C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 162635-34-9
CAS Name: disodium [2-[[5-acetamido-6-[[2-[[6-[(E)-3-benzoyloxy-2-(1-oxotetracosylamino)octadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-3-oxan
OPENEYE Name: disodium [2-[5-acetamido-6-[2-[6-[(E)-3-benzoyloxy-2-(tetracosanoylamino)octadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyl-tetrah
IUPAC Name: disodium [2-[5-acetamido-6-[2-[6-[(E)-3-benzoyloxy-2-(tetracosanoylamino)octadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-5-
SYSTEMATIC NAME: disodium [2-[5-acetamido-2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[2-(hydroxymethyl)-4,5-bis(oxidanyl)-6-[(E)-3-(phenylcarbonyloxy)-2-(tetracosanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-y
MOLECULAR FORMULA: C81H138N2Na2O34S2
MOLECULAR WEIGHT: 1794.06496
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC5C(C(C(C(O5)C)O)O)O)NC(=O)C)O)O)O)C(/C=C/CCCCCCCCCCCCC)OC(=O)C6=CC=CC=C6.[Na+].[Na+]
Structure:
CAS RN: 161258-31-7
CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]pentanoic acid
OPENEYE Name: (2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]pentanoic acid
IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-2-[[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]pentanoic acid
MOLECULAR FORMULA: C27H34N6O6
MOLECULAR WEIGHT: 538.59546
SMILES: C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)/C=C/C2=CC=CC=C2O
Structure:
CAS RN: 160492-62-6
CAS Name: 1-[[3-[[3,4-dihydroxy-4-[[(E)-8-hydroxy-2,6-dimethyl-1-oxooct-2-enoxy]methyl]-2-oxolanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-hydroxy-7-methylene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
OPENEYE Name: 1-[3-[3,4-dihydroxy-4-[[(E)-8-hydroxy-2,6-dimethyl-oct-2-enoyl]oxymethyl]tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-hydroxy-7-methylene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
IUPAC Name: 1-[3-[3,4-dihydroxy-4-[[(E)-8-hydroxy-2,6-dimethyloct-2-enoyl]oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
SYSTEMATIC NAME: 1-[3-[4-[[(E)-2,6-dimethyl-8-oxidanyl-oct-2-enoyl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-7-methylidene-6-oxidanyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
MOLECULAR FORMULA: C31H46O16
MOLECULAR WEIGHT: 674.68734
SMILES: CC(CC/C=C(\C)/C(=O)OCC1(COC(C1O)OC2C(C(C(OC2OC3C4C(CC(C4=C)O)C(=CO3)C(=O)O)CO)O)O)O)CCO
Structure:
CAS RN: 159934-00-6
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methyleneoct-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-ethyl-1-methyl-5-methylene-hept-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylideneoct-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylidene-oct-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C30H48O
MOLECULAR WEIGHT: 424.70152
SMILES: CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=C)CC
Structure:
CAS RN: 159034-84-1
CAS Name: N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]-5-isoquinolinesulfonamide
OPENEYE Name: N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)allyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide
IUPAC Name: N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide
MOLECULAR FORMULA: C31H35N3O3S
MOLECULAR WEIGHT: 529.6929
SMILES: CC1=CC(=CC(=C1C)C)/C=C/CN(C)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=CC4=C3C=CN=C4
Structure:
CAS RN: 158204-25-2
CAS Name: 3-methyl-4-[(1E,3E,5E)-6-methyl-7-oxoocta-1,3,5-trienyl]furan-2,5-dione
OPENEYE Name: 3-methyl-4-[(1E,3E,5E)-6-methyl-7-oxo-octa-1,3,5-trienyl]furan-2,5-dione
IUPAC Name: 3-methyl-4-[(1E,3E,5E)-6-methyl-7-oxoocta-1,3,5-trienyl]furan-2,5-dione
SYSTEMATIC NAME: 3-methyl-4-[(1E,3E,5E)-6-methyl-7-oxidanylidene-octa-1,3,5-trienyl]furan-2,5-dione
MOLECULAR FORMULA: C14H14O4
MOLECULAR WEIGHT: 246.25856
SMILES: CC1=C(C(=O)OC1=O)/C=C/C=C/C=C(\C)/C(=O)C
Structure:
CAS RN: 158114-64-8
CAS Name: (2S)-2-[[(E)-2-[[2-furanyl(oxo)methyl]amino]-4-methyl-1-oxopent-2-enyl]amino]-3-(1H-indol-3-yl)propanoic acid
OPENEYE Name: (2S)-2-[[(E)-2-(furan-2-carbonylamino)-4-methyl-pent-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC Name: (2S)-2-[[(E)-2-(furan-2-carbonylamino)-4-methylpent-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(E)-2-(furan-2-ylcarbonylamino)-4-methyl-pent-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C22H23N3O5
MOLECULAR WEIGHT: 409.43512
SMILES: CC(C)/C=C(\C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)/NC(=O)C3=CC=CO3
Structure:
CAS RN: 158018-58-7
CAS Name: 3-amino-N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]propanamide
OPENEYE Name: 3-amino-N-[(E)-2-(3,4-dihydroxyphenyl)vinyl]propanamide
IUPAC Name: 3-amino-N-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]propanamide
SYSTEMATIC NAME: 3-azanyl-N-[(E)-2-[3,4-bis(oxidanyl)phenyl]ethenyl]propanamide
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: C1=CC(=C(C=C1/C=C/NC(=O)CCN)O)O
Structure:
CAS RN: 157878-05-2
CAS Name: (E)-N-[1-[5-[[5-(dimethylamino)-3,4-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]-2-oxo-4-pyrimidinyl]-2-methyl-2-butenamide
OPENEYE Name: (E)-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]-2-methyl-but-2-enamide
IUPAC Name: (E)-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-2-methylbut-2-enamide
SYSTEMATIC NAME: (E)-N-[1-[5-[5-(dimethylamino)-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]-2-methyl-but-2-enamide
MOLECULAR FORMULA: C23H36N4O8
MOLECULAR WEIGHT: 496.55394
SMILES: C/C=C(\C)/C(=O)NC1=NC(=O)N(C=C1)C2CC(C(C(O2)C)OC3C(C(C(C(O3)C)N(C)C)O)O)O
Structure:
CAS RN: 157878-02-9
CAS Name: (E)-N-[1-[5-[[5-(dimethylamino)-3,4-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]-2-oxo-4-pyrimidinyl]-3-(methylthio)-2-propenamide
OPENEYE Name: (E)-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]-3-methylsulfanyl-prop-2-enamide
IUPAC Name: (E)-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-3-methylsulfanylprop-2-enamide
SYSTEMATIC NAME: (E)-N-[1-[5-[5-(dimethylamino)-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]-3-methylsulfanyl-prop-2-enamide
MOLECULAR FORMULA: C22H34N4O8S
MOLECULAR WEIGHT: 514.59236
SMILES: CC1C(C(C(C(O1)OC2C(OC(CC2O)N3C=CC(=NC3=O)NC(=O)/C=C/SC)C)O)O)N(C)C
Structure:
CAS RN: 157049-51-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H47NO11
MOLECULAR WEIGHT: 669.75848
SMILES: CCC1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C(=C(C(=C3C2=O)O)C)O)C(=O)/C(=C\C(C(C(C(C(C(C(C1O)C)O)C)O)C)O)CO)/C)/C
Structure:
CAS RN: 157047-97-7
CAS Name: (7E)-6-methyl-7-(phenylmethylene)quinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
OPENEYE Name: (7E)-7-benzylidene-6-methyl-quinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
IUPAC Name: (7E)-7-benzylidene-6-methylquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
SYSTEMATIC NAME: (7E)-6-methyl-7-(phenylmethylidene)quinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
MOLECULAR FORMULA: C24H17N3O2
MOLECULAR WEIGHT: 379.41068
SMILES: CN1/C(=C/C2=CC=CC=C2)/C3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C1=O
Structure:
CAS RN: 156586-93-5
CAS Name: (E,2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]-4-hexenamide
OPENEYE Name: (E,2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S)-1-[[(1S)-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]hex-4-enamide
IUPAC Name: (E,2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]hex-4-enamide
SYSTEMATIC NAME: (E,2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]hex-4-enamide
MOLECULAR FORMULA: C43H54N8O6
MOLECULAR WEIGHT: 778.93886
SMILES: C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](C/C=C/CN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C=O)N
Structure:
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