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

Systemtic Name: methyl 3-[[(2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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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=C2Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H23ClN2O4/c1-12(2)18(24-19(25)15-7-5-6-8-16(15)22)20(26)23-17-11-14(21(27)28-4)10-9-13(17)3/h5-12,18H,1-4H3,(H,23,26)(H,24,25)/t18-/m0/s1