methyl 3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C16H22N2O4/c1-9(2)14(17-11(4)19)15(20)18-13-8-12(16(21)22-5)7-6-10(13)3/h6-9,14H,1-5H3,(H,17,19)(H,18,20)/t14-/m0/s1