3-[[4-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]-3-oxidanylidene-butanoyl]amino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 3-[[4-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]-3-oxidanylidene-butanoyl]amino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[[4-[6-(4,5-dihydro-1H-imidazol-2-ylamino)indolin-1-yl]-3-oxo-butanoyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[4-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]-1,3-dioxobutyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[[4-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]-3-oxobutanoyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[[4-[6-(2-imidazolin-2-ylamino)indolin-1-yl]-3-keto-butanoyl]amino]-3-(3-quinolyl)propionic acid Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)NC3=NCCN3)CC(=O)CC(=O)NC(CC(=O)O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)NC3=NCCN3)CC(=O)CC(=O)NC(CC(=O)O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H28N6O4/c34-21(16-33-10-7-17-5-6-20(12-24(17)33)31-27-28-8-9-29-27)13-25(35)32-23(14-26(36)37)19-11-18-3-1-2-4-22(18)30-15-19/h1-6,11-12,15,23H,7-10,13-14,16H2,(H,32,35)(H,36,37)(H2,28,29,31)