ethyl 2-[(6S)-6-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2,2-dimethyl-7-oxidanylidene-azepan-1-yl]ethanoate

Systemtic Name: ethyl 2-[(6S)-6-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-2,2-dimethyl-7-oxidanylidene-azepan-1-yl]ethanoate Openeye Name: ethyl 2-[(6S)-6-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-2,2-dimethyl-7-oxo-azepan-1-yl]acetate CAS Name: 2-[(6S)-6-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2,2-dimethyl-7-oxo-1-azepanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6S)-6-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2,2-dimethyl-7-oxoazepan-1-yl]acetate Traditional Name: 2-[(6S)-6-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-7-keto-2,2-dimethyl-azepan-1-yl]acetic acid ethyl ester Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(CCCC1(C)C)NC(=O)C(CC2=CC=CC=C2)SC(=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)[C@H](CCCC1(C)C)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C

InChI

InChI=1S/C23H32N2O5S/c1-5-30-20(27)15-25-22(29)18(12-9-13-23(25,3)4)24-21(28)19(31-16(2)26)14-17-10-7-6-8-11-17/h6-8,10-11,18-19H,5,9,12-15H2,1-4H3,(H,24,28)/t18-,19-/m0/s1