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

Systemtic Name: ethyl 2-[(3S,7R)-3-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-7-propyl-azepan-1-yl]ethanoate Openeye Name: ethyl 2-[(3S,7R)-3-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-2-oxo-7-propyl-azepan-1-yl]acetate CAS Name: 2-[(3S,7R)-3-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-oxo-7-propyl-1-azepanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S,7R)-3-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2-oxo-7-propylazepan-1-yl]acetate Traditional Name: 2-[(3S,7R)-3-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-2-keto-7-propyl-azepan-1-yl]acetic acid ethyl ester Formula: C24H34N2O5S MolecularWeight: 462.60216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC(C(=O)N1CC(=O)OCC)NC(=O)C(CC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CCC[C@@H]1CCC[C@@H](C(=O)N1CC(=O)OCC)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C24H34N2O5S/c1-4-10-19-13-9-14-20(24(30)26(19)16-22(28)31-5-2)25-23(29)21(32-17(3)27)15-18-11-7-6-8-12-18/h6-8,11-12,19-21H,4-5,9-10,13-16H2,1-3H3,(H,25,29)/t19-,20+,21+/m1/s1