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

Systemtic Name: methyl 4-[[(2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoyl]amino]benzoic acid methyl ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H21FN2O4/c1-12(2)17(23-18(24)15-6-4-5-7-16(15)21)19(25)22-14-10-8-13(9-11-14)20(26)27-3/h4-12,17H,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1