2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-(phenylmethyl)amino]butanedioic acid

Systemtic Name: 2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-(phenylmethyl)amino]butanedioic acid Openeye Name: 2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)-benzyl-amino]butanedioic acid CAS Name: 2-[(2-amino-5-hydroxy-1,5-dioxopentyl)-(phenylmethyl)amino]butanedioic acid IUPAC Name: 2-[(2-amino-5-hydroxy-5-oxopentanoyl)-benzylamino]butanedioic acid Traditional Name: 2-[(2-amino-5-hydroxy-5-keto-pentanoyl)-benzyl-amino]succinic acid Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(CC(=O)O)C(=O)O)C(=O)C(CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CN(C(CC(=O)O)C(=O)O)C(=O)C(CCC(=O)O)N

InChI

InChI=1S/C16H20N2O7/c17-11(6-7-13(19)20)15(23)18(9-10-4-2-1-3-5-10)12(16(24)25)8-14(21)22/h1-5,11-12H,6-9,17H2,(H,19,20)(H,21,22)(H,24,25)