2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-methyl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-butoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-methyl-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-3-methyl-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-3-methyl-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-3-methyl-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(1-butoxycarbonyl-3-phenyl-propyl)amino]-5-keto-3-methyl-1,4-thiazepan-4-yl]acetic acid Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-3-4-12-29-22(28)18(11-10-17-8-6-5-7-9-17)23-19-15-30-14-16(2)24(21(19)27)13-20(25)26/h5-9,16,18-19,23H,3-4,10-15H2,1-2H3,(H,25,26)