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

Systemtic Name: 2-[[4-(carboxymethyl)-2-methyl-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[4-(carboxymethyl)-2-methyl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[4-(carboxymethyl)-2-methyl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[4-(carboxymethyl)-2-methyl-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[4-(carboxymethyl)-5-keto-2-methyl-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C(CS1)NC(CCC2=CC=CC=C2)C(=O)O)CC(=O)O

Isomeric SMILES

CC1CN(C(=O)C(CS1)NC(CCC2=CC=CC=C2)C(=O)O)CC(=O)O

InChI

InChI=1S/C18H24N2O5S/c1-12-9-20(10-16(21)22)17(23)15(11-26-12)19-14(18(24)25)8-7-13-5-3-2-4-6-13/h2-6,12,14-15,19H,7-11H2,1H3,(H,21,22)(H,24,25)