methyl (2S)-2-[(3S)-3-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-azepan-1-yl]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(3S)-3-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-azepan-1-yl]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(3S)-3-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-2-oxo-azepan-1-yl]-3-methyl-butanoate CAS Name: (2S)-2-[(3S)-3-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-oxo-1-azepanyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3S)-3-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2-oxoazepan-1-yl]-3-methylbutanoate Traditional Name: (2S)-2-[(3S)-3-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-2-keto-azepan-1-yl]-3-methyl-butyric acid methyl ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N1CCCCC(C1=O)NC(=O)C(CC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N1CCCC[C@@H](C1=O)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C23H32N2O5S/c1-15(2)20(23(29)30-4)25-13-9-8-12-18(22(25)28)24-21(27)19(31-16(3)26)14-17-10-6-5-7-11-17/h5-7,10-11,15,18-20H,8-9,12-14H2,1-4H3,(H,24,27)/t18-,19-,20-/m0/s1