2-[(6R)-6-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid hydrochloride

Systemtic Name: 2-[(6R)-6-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-4-yl]ethanoic acid hydrochloride Openeye Name: 2-[(6R)-6-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride CAS Name: 2-[(6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid hydrochloride IUPAC Name: 2-[(6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid hydrochloride Traditional Name: 2-[(6R)-6-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]-5-keto-2-(2-thienyl)-1,4-thiazepan-4-yl]acetic acid hydrochloride Formula: C23H29ClN2O5S2 MolecularWeight: 513.06976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3.Cl

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3.Cl

InChI

InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20?;/m0./s1