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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]-3-naphthalen-1-yl-propanoic acid Openeye Name: 2-[[3-benzyl-4-(carboxymethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-3-(1-naphthyl)propanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]-3-(1-naphthalenyl)propanoic acid IUPAC Name: 2-[[3-benzyl-4-(carboxymethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-3-naphthalen-1-ylpropanoic acid Traditional Name: 2-[[3-benzyl-4-(carboxymethyl)-5-keto-1,4-thiazepan-6-yl]amino]-3-(1-naphthyl)propionic acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)C(CS1)NC(CC2=CC=CC3=CC=CC=C32)C(=O)O)CC(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1C(N(C(=O)C(CS1)NC(CC2=CC=CC3=CC=CC=C32)C(=O)O)CC(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c30-25(31)15-29-21(13-18-7-2-1-3-8-18)16-35-17-24(26(29)32)28-23(27(33)34)14-20-11-6-10-19-9-4-5-12-22(19)20/h1-12,21,23-24,28H,13-17H2,(H,30,31)(H,33,34)