methyl 2-[(3S,7R)-7-cyclopentyl-3-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: methyl 2-[(3S,7R)-7-cyclopentyl-3-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: methyl 2-[(3S,7R)-3-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-7-cyclopentyl-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S,7R)-3-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-7-cyclopentyl-2-oxo-1-azepanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,7R)-3-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-7-cyclopentyl-2-oxoazepan-1-yl]acetate Traditional Name: 2-[(3S,7R)-3-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-7-cyclopentyl-2-keto-azepan-1-yl]acetic acid methyl ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CCCC(N(C2=O)CC(=O)OC)C3CCCC3

Isomeric SMILES

CC(=O)S[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCC[C@@H](N(C2=O)CC(=O)OC)C3CCCC3

InChI

InChI=1S/C25H34N2O5S/c1-17(28)33-22(15-18-9-4-3-5-10-18)24(30)26-20-13-8-14-21(19-11-6-7-12-19)27(25(20)31)16-23(29)32-2/h3-5,9-10,19-22H,6-8,11-16H2,1-2H3,(H,26,30)/t20-,21+,22-/m0/s1