6-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]-2-[(phenylmethyl)amino]hexanoic acid

Systemtic Name: 6-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]-2-[(phenylmethyl)amino]hexanoic acid Openeye Name: 2-(benzylamino)-6-[(3-hydroxy-3-oxo-propanoyl)amino]hexanoic acid CAS Name: 6-[(3-hydroxy-1,3-dioxopropyl)amino]-2-[(phenylmethyl)amino]hexanoic acid IUPAC Name: 2-(benzylamino)-6-[(3-hydroxy-3-oxopropanoyl)amino]hexanoic acid Traditional Name: 2-(benzylamino)-6-[(3-hydroxy-3-keto-propanoyl)amino]hexanoic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CCCCNC(=O)CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(CCCCNC(=O)CC(=O)O)C(=O)O

InChI

InChI=1S/C16H22N2O5/c19-14(10-15(20)21)17-9-5-4-8-13(16(22)23)18-11-12-6-2-1-3-7-12/h1-3,6-7,13,18H,4-5,8-11H2,(H,17,19)(H,20,21)(H,22,23)