2-[[4-(carboxymethyl)-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-(carboxymethyl)-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(carboxymethyl)-2-(1-naphthyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[4-(carboxymethyl)-2-(1-naphthalenyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-2-naphthalen-1-yl-5-oxo-1,4-thiazepan-6-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-(1-naphthyl)-1,4-thiazepan-6-yl]amino]-4-methyl-valeric acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1CSC(CN(C1=O)CC(=O)O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)CC(C(=O)O)NC1CSC(CN(C1=O)CC(=O)O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H28N2O5S/c1-14(2)10-18(23(29)30)24-19-13-31-20(11-25(22(19)28)12-21(26)27)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,26,27)(H,29,30)