(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (E)-4-methoxy-4-oxo-but-2-enoic acid CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (E)-4-methoxy-4-oxo-2-butenoic acid IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (E)-4-methoxy-4-oxobut-2-enoic acid Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid; (E)-4-keto-4-methoxy-but-2-enoic acid Formula: C11H15N3O6 MolecularWeight: 285.2533

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)O.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

COC(=O)/C=C/C(=O)O.C1=C(NC=N1)C[C@@H](C(=O)O)N

InChI

InChI=1S/C6H9N3O2.C5H6O4/c7-5(6(10)11)1-4-2-8-3-9-4;1-9-5(8)3-2-4(6)7/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2-3H,1H3,(H,6,7)/b;3-2+/t5-;/m0./s1