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

Systemtic Name: ethyl 2-[(3S)-3-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: ethyl 2-[(3S)-3-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-2-oxo-azepan-1-yl]acetate CAS Name: 2-[(3S)-3-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-oxo-1-azepanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-3-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2-oxoazepan-1-yl]acetate Traditional Name: 2-[(3S)-3-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-2-keto-azepan-1-yl]acetic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCCCC(C1=O)NC(=O)C(CC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CCOC(=O)CN1CCCC[C@@H](C1=O)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C21H28N2O5S/c1-3-28-19(25)14-23-12-8-7-11-17(21(23)27)22-20(26)18(29-15(2)24)13-16-9-5-4-6-10-16/h4-6,9-10,17-18H,3,7-8,11-14H2,1-2H3,(H,22,26)/t17-,18-/m0/s1