(2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-oxo-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[4-[3-(1-imidazolyl)propylamino]-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: (2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-oxobutanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-keto-butanoyl]amino]propionic acid Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCC(=O)NCCCN1C=CN=C1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CCC(=O)NCCCN1C=CN=C1

InChI

InChI=1S/C13H20N4O4/c1-10(13(20)21)16-12(19)4-3-11(18)15-5-2-7-17-8-6-14-9-17/h6,8-10H,2-5,7H2,1H3,(H,15,18)(H,16,19)(H,20,21)/t10-/m0/s1