methyl (2S,3S)-2-(carbonocyanidoylamino)-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-(carbonocyanidoylamino)-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-(carbonocyanidoylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-(carbonocyanidoylamino)-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-(carbonocyanidoylamino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(carbonocyanidoylamino)-3-methyl-valeric acid methyl ester Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C#N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C#N

InChI

InChI=1S/C9H14N2O3/c1-4-6(2)8(9(13)14-3)11-7(12)5-10/h6,8H,4H2,1-3H3,(H,11,12)/t6-,8-/m0/s1