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

Systemtic Name: methyl (2S,3S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-methyl-valeric acid methyl ester Formula: C14H24N4O3 MolecularWeight: 296.36536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O3/c1-4-11(2)12(13(19)21-3)17-14(20)16-6-5-8-18-9-7-15-10-18/h7,9-12H,4-6,8H2,1-3H3,(H2,16,17,20)/t11-,12-/m0/s1