2-methyl-2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]pentanoic acid

Systemtic Name: 2-methyl-2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]pentanoic acid Openeye Name: 2-methyl-2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]pentanoic acid CAS Name: 2-methyl-2-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoic acid Traditional Name: 2-methyl-2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]valeric acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C22H27N3O4/c1-4-13-22(3,20(27)28)25-19(26)14-16-9-11-17(12-10-16)23-21(29)24-18-8-6-5-7-15(18)2/h5-12H,4,13-14H2,1-3H3,(H,25,26)(H,27,28)(H2,23,24,29)