2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]propanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]propanoic acid Openeye Name: 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-1,4-thiazepan-4-yl]propanoic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-1,4-thiazepan-4-yl]propanoic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-1,4-thiazepan-4-yl]propanoic acid Traditional Name: 2-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-5-keto-1,4-thiazepan-4-yl]propionic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCCN(C2=O)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCCN(C2=O)C(C)C(=O)O

InChI

InChI=1S/C20H28N2O5S/c1-3-27-20(26)16(10-9-15-7-5-4-6-8-15)21-17-13-28-12-11-22(18(17)23)14(2)19(24)25/h4-8,14,16-17,21H,3,9-13H2,1-2H3,(H,24,25)