(2S,3S)-2-(3-imidazol-1-ylpropanoylamino)-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-(3-imidazol-1-ylpropanoylamino)-3-methyl-pentanoate Openeye Name: (2S,3S)-2-(3-imidazol-1-ylpropanoylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[3-(1-imidazolyl)-1-oxopropyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-(3-imidazol-1-ylpropanoylamino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(3-imidazol-1-ylpropanoylamino)-3-methyl-valerate Formula: C12H18N3O3- MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CCN1C=CN=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CCN1C=CN=C1

InChI

InChI=1S/C12H19N3O3/c1-3-9(2)11(12(17)18)14-10(16)4-6-15-7-5-13-8-15/h5,7-9,11H,3-4,6H2,1-2H3,(H,14,16)(H,17,18)/p-1/t9-,11-/m0/s1