2-azanylbutanedioic acid; (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 2-azanylbutanedioic acid; (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-aminobutanedioic acid; (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoic acid CAS Name: 2-aminobutanedioic acid; (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 2-aminobutanedioic acid; (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-aminosuccinic acid; (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid Formula: C17H24N2O8 MolecularWeight: 384.38106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C13H17NO4.C4H7NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;5-2(4(8)9)1-3(6)7/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);2H,1,5H2,(H,6,7)(H,8,9)/t11-;/m0./s1