2-[6-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(3-benzamido-2-oxidanyl-4-phenyl-butyl)amino]-5-oxidanylidene-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[(3-benzamido-2-hydroxy-4-phenyl-butyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[(3-benzamido-2-hydroxy-4-phenylbutyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(3-benzamido-2-hydroxy-4-phenylbutyl)amino]-5-oxo-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[(3-benzamido-2-hydroxy-4-phenyl-butyl)amino]-5-keto-1,4-thiazepan-4-yl]acetic acid Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C(=O)N1CC(=O)O)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1CSCC(C(=O)N1CC(=O)O)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C24H29N3O5S/c28-21(14-25-20-16-33-12-11-27(24(20)32)15-22(29)30)19(13-17-7-3-1-4-8-17)26-23(31)18-9-5-2-6-10-18/h1-10,19-21,25,28H,11-16H2,(H,26,31)(H,29,30)