(2S)-3-(1H-imidazol-5-yl)-2-[3-(propanoylamino)propanoylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(propanoylamino)propanoylamino]propanoic acid Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(propanoylamino)propanoylamino]propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[1-oxo-3-(1-oxopropylamino)propyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(propanoylamino)propanoylamino]propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-propionamidopropanoylamino)propionic acid Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCC(=O)NC(CC1=CN=CN1)C(=O)O

Isomeric SMILES

CCC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O

InChI

InChI=1S/C12H18N4O4/c1-2-10(17)14-4-3-11(18)16-9(12(19)20)5-8-6-13-7-15-8/h6-7,9H,2-5H2,1H3,(H,13,15)(H,14,17)(H,16,18)(H,19,20)/t9-/m0/s1