(2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-oxo-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-[3-(1-imidazolyl)propylamino]-1,4-dioxobutyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-oxobutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(3-imidazol-1-ylpropylamino)-4-keto-butanoyl]amino]-3-methyl-butyrate Formula: C15H23N4O4- MolecularWeight: 323.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCC(=O)NCCCN1C=CN=C1

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O4/c1-11(2)14(15(22)23)18-13(21)5-4-12(20)17-6-3-8-19-9-7-16-10-19/h7,9-11,14H,3-6,8H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)/p-1/t14-/m0/s1