methyl (2S)-2-[cyanomethyl(methanoyl)amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[cyanomethyl(methanoyl)amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[cyanomethyl(formyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[cyanomethyl(formyl)amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[cyanomethyl(formyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[cyanomethyl(formyl)amino]-4-methyl-valeric acid methyl ester Formula: C10H16N2O3 MolecularWeight: 212.24564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(CC#N)C=O

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2O3/c1-8(2)6-9(10(14)15-3)12(7-13)5-4-11/h7-9H,5-6H2,1-3H3/t9-/m0/s1