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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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