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

Systemtic Name: 2-[[4-(carboxymethyl)-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(carboxymethyl)-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[4-(carboxymethyl)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-methyl-valeric acid Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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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=CS2

Isomeric SMILES

CC(C)CC(C(=O)O)NC1CSC(CN(C1=O)CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C17H24N2O5S2/c1-10(2)6-11(17(23)24)18-12-9-26-14(13-4-3-5-25-13)7-19(16(12)22)8-15(20)21/h3-5,10-12,14,18H,6-9H2,1-2H3,(H,20,21)(H,23,24)