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

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-propan-2-yl-1,4-thiazepan-4-yl]propanoic acid Openeye Name: 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-3-isopropyl-5-oxo-1,4-thiazepan-4-yl]propanoic acid CAS Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-propan-2-yl-1,4-thiazepan-4-yl]propanoic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-propan-2-yl-1,4-thiazepan-4-yl]propanoic acid Traditional Name: 2-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-3-isopropyl-5-keto-1,4-thiazepan-4-yl]propionic acid Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)C(C)C(=O)O)C(C)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)C(C)C(=O)O)C(C)C

InChI

InChI=1S/C23H34N2O5S/c1-5-30-23(29)18(12-11-17-9-7-6-8-10-17)24-19-13-31-14-20(15(2)3)25(21(19)26)16(4)22(27)28/h6-10,15-16,18-20,24H,5,11-14H2,1-4H3,(H,27,28)