(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoic acid; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoic acid; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (2S)-2,4-diamino-4-oxo-butanoic acid; (E)-4-methoxy-4-oxo-but-2-enoic acid CAS Name: (2S)-2,4-diamino-4-oxobutanoic acid; (E)-4-methoxy-4-oxo-2-butenoic acid IUPAC Name: (2S)-2,4-diamino-4-oxobutanoic acid; (E)-4-methoxy-4-oxobut-2-enoic acid Traditional Name: (2S)-2,4-diamino-4-keto-butyric acid; (E)-4-keto-4-methoxy-but-2-enoic acid Formula: C9H14N2O7 MolecularWeight: 262.21666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)O.C(C(C(=O)O)N)C(=O)N

Isomeric SMILES

COC(=O)/C=C/C(=O)O.C([C@@H](C(=O)O)N)C(=O)N

InChI

InChI=1S/C5H6O4.C4H8N2O3/c1-9-5(8)3-2-4(6)7;5-2(4(8)9)1-3(6)7/h2-3H,1H3,(H,6,7);2H,1,5H2,(H2,6,7)(H,8,9)/b3-2+;/t;2-/m.0/s1