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

Systemtic Name: methyl 3-[[(2S)-2-[(2-methoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-[(2-methoxybenzoyl)amino]-3-methyl-butanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-4-methylbenzoate Traditional Name: 4-methyl-3-[[(2S)-3-methyl-2-(o-anisoylamino)butanoyl]amino]benzoic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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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)C2=CC=CC=C2OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C22H26N2O5/c1-13(2)19(24-20(25)16-8-6-7-9-18(16)28-4)21(26)23-17-12-15(22(27)29-5)11-10-14(17)3/h6-13,19H,1-5H3,(H,23,26)(H,24,25)/t19-/m0/s1