(2S)-2-azanylbutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-azanylbutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-phenyl-propanoic acid Openeye Name: (2S)-2-aminobutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-phenyl-propanoic acid CAS Name: (2S)-2-aminobutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-phenylpropanoic acid IUPAC Name: (2S)-2-aminobutanedioic acid; (2S)-2-(methoxycarbonylamino)-3-phenylpropanoic acid Traditional Name: (2S)-2-aminosuccinic acid; (2S)-2-(carbomethoxyamino)-3-phenyl-propionic acid Formula: C15H20N2O8 MolecularWeight: 356.3279

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CC1=CC=CC=C1)C(=O)O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

COC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C11H13NO4.C4H7NO4/c1-16-11(15)12-9(10(13)14)7-8-5-3-2-4-6-8;5-2(4(8)9)1-3(6)7/h2-6,9H,7H2,1H3,(H,12,15)(H,13,14);2H,1,5H2,(H,6,7)(H,8,9)/t9-;2-/m00/s1