2-[6-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-5-oxidanylidene-3-propan-2-yl-1,4-thiazepan-4-yl]ethanoic 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]ethanoic acid Openeye Name: 2-[6-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-3-isopropyl-5-oxo-1,4-thiazepan-4-yl]acetic 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]acetic 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]acetic acid Traditional Name: 2-[6-[(1-carbethoxy-3-phenyl-propyl)amino]-3-isopropyl-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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