3-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)-3-methyl-phenyl]ethanoylamino]-3-phenyl-butanoic acid

Systemtic Name: 3-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)-3-methyl-phenyl]ethanoylamino]-3-phenyl-butanoic acid Openeye Name: 3-[[2-[4-(indoline-1-carbonylamino)-3-methyl-phenyl]acetyl]amino]-3-phenyl-butanoic acid CAS Name: 3-[[2-[4-[[2,3-dihydroindol-1-yl(oxo)methyl]amino]-3-methylphenyl]-1-oxoethyl]amino]-3-phenylbutanoic acid IUPAC Name: 3-[[2-[4-(2,3-dihydroindole-1-carbonylamino)-3-methylphenyl]acetyl]amino]-3-phenylbutanoic acid Traditional Name: 3-[[2-[4-(indoline-1-carbonylamino)-3-methyl-phenyl]acetyl]amino]-3-phenyl-butyric acid Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)NC(C)(CC(=O)O)C2=CC=CC=C2)NC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)NC(C)(CC(=O)O)C2=CC=CC=C2)NC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C28H29N3O4/c1-19-16-20(17-25(32)30-28(2,18-26(33)34)22-9-4-3-5-10-22)12-13-23(19)29-27(35)31-15-14-21-8-6-7-11-24(21)31/h3-13,16H,14-15,17-18H2,1-2H3,(H,29,35)(H,30,32)(H,33,34)