ethyl (E,4S)-7-azanyl-4-[[(2S)-2-[[(2S)-2-(cyclopentylsulfanylcarbonylamino)-3,3-dimethyl-butanoyl]-methyl-amino]-3-(4-methylphenyl)propanoyl]amino]-2-methyl-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E,4S)-7-azanyl-4-[[(2S)-2-[[(2S)-2-(cyclopentylsulfanylcarbonylamino)-3,3-dimethyl-butanoyl]-methyl-amino]-3-(4-methylphenyl)propanoyl]amino]-2-methyl-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E,4S)-7-amino-4-[[(2S)-2-[[(2S)-2-(cyclopentylsulfanylcarbonylamino)-3,3-dimethyl-butanoyl]-methyl-amino]-3-(p-tolyl)propanoyl]amino]-2-methyl-7-oxo-hept-2-enoate CAS Name: (E,4S)-7-amino-4-[[(2S)-2-[[(2S)-2-[[(cyclopentylthio)-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-methylamino]-3-(4-methylphenyl)-1-oxopropyl]amino]-2-methyl-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-7-amino-4-[[(2S)-2-[[(2S)-2-(cyclopentylsulfanylcarbonylamino)-3,3-dimethylbutanoyl]-methylamino]-3-(4-methylphenyl)propanoyl]amino]-2-methyl-7-oxohept-2-enoate Traditional Name: (E,4S)-7-amino-4-[[(2S)-2-[[(2S)-2-[(cyclopentylthio)carbonylamino]-3,3-dimethyl-butanoyl]-methyl-amino]-3-(p-tolyl)propanoyl]amino]-7-keto-2-methyl-hept-2-enoic acid ethyl ester Formula: C33H50N4O6S MolecularWeight: 630.8383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)C)N(C)C(=O)C(C(C)(C)C)NC(=O)SC2CCCC2)C

Isomeric SMILES

CCOC(=O)/C(=C/[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)C)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)SC2CCCC2)/C

InChI

InChI=1S/C33H50N4O6S/c1-8-43-31(41)22(3)19-24(17-18-27(34)38)35-29(39)26(20-23-15-13-21(2)14-16-23)37(7)30(40)28(33(4,5)6)36-32(42)44-25-11-9-10-12-25/h13-16,19,24-26,28H,8-12,17-18,20H2,1-7H3,(H2,34,38)(H,35,39)(H,36,42)/b22-19+/t24-,26-,28+/m0/s1