2-[[4-(carboxymethyl)-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-3-phenyl-1,4-thiazepan-6-yl]amino]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-3-phenyl-1,4-thiazepan-6-yl]amino]-3-(phenylthio)propionic acid Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C(CS1)C2=CC=CC=C2)CC(=O)O)NC(CSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(C(=O)N(C(CS1)C2=CC=CC=C2)CC(=O)O)NC(CSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N2O5S2/c25-20(26)11-24-19(15-7-3-1-4-8-15)14-30-12-17(21(24)27)23-18(22(28)29)13-31-16-9-5-2-6-10-16/h1-10,17-19,23H,11-14H2,(H,25,26)(H,28,29)