5-[(isoquinolin-3-ylcarbonylamino)-(2-methylpropyl)amino]-3-(4-methylphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(isoquinolin-3-ylcarbonylamino)-(2-methylpropyl)amino]-3-(4-methylphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[isobutyl-(isoquinoline-3-carbonylamino)amino]-5-oxo-3-(p-tolyl)pentanoic acid CAS Name: 5-[[[3-isoquinolinyl(oxo)methyl]amino]-(2-methylpropyl)amino]-3-(4-methylphenyl)-5-oxopentanoic acid IUPAC Name: 5-[(isoquinoline-3-carbonylamino)-(2-methylpropyl)amino]-3-(4-methylphenyl)-5-oxopentanoic acid Traditional Name: 5-[isobutyl-(isoquinoline-3-carbonylamino)amino]-5-keto-3-(p-tolyl)valeric acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)N(CC(C)C)NC(=O)C2=CC3=CC=CC=C3C=N2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)N(CC(C)C)NC(=O)C2=CC3=CC=CC=C3C=N2)CC(=O)O

InChI

InChI=1S/C26H29N3O4/c1-17(2)16-29(28-26(33)23-12-20-6-4-5-7-21(20)15-27-23)24(30)13-22(14-25(31)32)19-10-8-18(3)9-11-19/h4-12,15,17,22H,13-14,16H2,1-3H3,(H,28,33)(H,31,32)