(2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methyl-pentanoate

Systemtic Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methyl-pentanoate Openeye Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methyl-pentanoate CAS Name: (2S)-2-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylpentanoate Traditional Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methyl-valerate Formula: C13H21N4O3- MolecularWeight: 281.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O3/c1-10(2)8-11(12(18)19)16-13(20)15-4-3-6-17-7-5-14-9-17/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,18,19)(H2,15,16,20)/p-1/t11-/m0/s1