2-[3-butan-2-yl-6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic 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]ethanoic acid Openeye Name: 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-5-oxo-3-sec-butyl-1,4-thiazepan-4-yl]acetic 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]acetic 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]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-5-keto-3-sec-butyl-1,4-thiazepan-4-yl]acetic acid Formula: C23H34N2O5S MolecularWeight: 450.59146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CSCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC(C)C1CSCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)OCC

InChI

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