2-[3-butan-2-yl-6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]propanoic acid

Systemtic Name: 2-[3-butan-2-yl-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-3-sec-butyl-1,4-thiazepan-4-yl]propanoic acid CAS Name: 2-[3-butan-2-yl-6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-1,4-thiazepan-4-yl]propanoic acid IUPAC Name: 2-[3-butan-2-yl-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-3-sec-butyl-1,4-thiazepan-4-yl]propionic acid Formula: C24H36N2O5S MolecularWeight: 464.61804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CSCC(C(=O)N1C(C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(C)C1CSCC(C(=O)N1C(C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C24H36N2O5S/c1-5-16(3)21-15-32-14-20(22(27)26(21)17(4)23(28)29)25-19(24(30)31-6-2)13-12-18-10-8-7-9-11-18/h7-11,16-17,19-21,25H,5-6,12-15H2,1-4H3,(H,28,29)