4-(carboxymethyl)-5-oxidanylidene-3-(phenylmethyl)-1-(3-phenylpropylamino)-1,4-thiazepane-1-carboxylic acid

Systemtic Name: 4-(carboxymethyl)-5-oxidanylidene-3-(phenylmethyl)-1-(3-phenylpropylamino)-1,4-thiazepane-1-carboxylic acid Openeye Name: 3-benzyl-4-(carboxymethyl)-5-oxo-1-(3-phenylpropylamino)-1,4-thiazepane-1-carboxylic acid CAS Name: 4-(carboxymethyl)-5-oxo-3-(phenylmethyl)-1-(3-phenylpropylamino)-1,4-thiazepane-1-carboxylic acid IUPAC Name: 3-benzyl-4-(carboxymethyl)-5-oxo-1-(3-phenylpropylamino)-1,4-thiazepane-1-carboxylic acid Traditional Name: 3-benzyl-4-(carboxymethyl)-5-keto-1-(3-phenylpropylamino)-1,4-thiazepane-1-carboxylic acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(CC(N(C1=O)CC(=O)O)CC2=CC=CC=C2)(C(=O)O)NCCCC3=CC=CC=C3

Isomeric SMILES

C1CS(CC(N(C1=O)CC(=O)O)CC2=CC=CC=C2)(C(=O)O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c27-22-13-15-32(24(30)31,25-14-7-12-19-8-3-1-4-9-19)18-21(26(22)17-23(28)29)16-20-10-5-2-6-11-20/h1-6,8-11,21,25H,7,12-18H2,(H,28,29)(H,30,31)