methyl 3-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S,3S)-2-benzamido-3-methyl-1-oxopentyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=C(C=CC(=C1)C(=O)OC)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4/c1-5-14(2)19(24-20(25)16-9-7-6-8-10-16)21(26)23-18-13-17(22(27)28-4)12-11-15(18)3/h6-14,19H,5H2,1-4H3,(H,23,26)(H,24,25)/t14-,19-/m0/s1