(2S)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid

Systemtic Name: (2S)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid Openeye Name: (2S)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid CAS Name: (2S)-2-[(3-acetamido-1-oxopropyl)amino]-3-(3-methyl-4-imidazolyl)propanoic acid IUPAC Name: (2S)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid Traditional Name: (2S)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propionic acid Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC(CC1=CN=CN1C)C(=O)O

Isomeric SMILES

CC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1C)C(=O)O

InChI

InChI=1S/C12H18N4O4/c1-8(17)14-4-3-11(18)15-10(12(19)20)5-9-6-13-7-16(9)2/h6-7,10H,3-5H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)/t10-/m0/s1