5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid; 2-azanylpentanedioic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid; 2-azanylpentanedioic acid Openeye Name: 5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoic acid; 2-aminopentanedioic acid CAS Name: 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid; 2-aminopentanedioic acid IUPAC Name: 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid; 2-aminopentanedioic acid Traditional Name: 5-amino-2-(benzyloxycarbonylamino)-5-keto-valeric acid; 2-aminoglutaric acid Formula: C18H25N3O9 MolecularWeight: 427.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)N)C(=O)O.C(CC(=O)O)C(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)N)C(=O)O.C(CC(=O)O)C(C(=O)O)N

InChI

InChI=1S/C13H16N2O5.C5H9NO4/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9;6-3(5(9)10)1-2-4(7)8/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18);3H,1-2,6H2,(H,7,8)(H,9,10)