1-[(2S)-4-methyl-2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]pentanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2S)-4-methyl-2-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]ethanoylamino]pentanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2S)-4-methyl-2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]pentanoyl]piperidine-2-carboxylic acid CAS Name: 1-[(2S)-4-methyl-2-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-1-oxopentyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2S)-4-methyl-2-[[2-[4-(o-tolylcarbamoylamino)phenyl]acetyl]amino]pentanoyl]pipecolinic acid Formula: C28H36N4O5 MolecularWeight: 508.60924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC(CC(C)C)C(=O)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N3CCCCC3C(=O)O

InChI

InChI=1S/C28H36N4O5/c1-18(2)16-23(26(34)32-15-7-6-10-24(32)27(35)36)30-25(33)17-20-11-13-21(14-12-20)29-28(37)31-22-9-5-4-8-19(22)3/h4-5,8-9,11-14,18,23-24H,6-7,10,15-17H2,1-3H3,(H,30,33)(H,35,36)(H2,29,31,37)/t23-,24?/m0/s1