3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid

Systemtic Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Openeye Name: 3-[[4-(isoindolin-5-ylamino)-4-oxo-butanoyl]amino]-3-(4-isopropoxyphenyl)propanoic acid CAS Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-1,4-dioxobutyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid IUPAC Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid Traditional Name: 3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]-3-(4-isopropoxyphenyl)propionic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2

InChI

InChI=1S/C24H29N3O5/c1-15(2)32-20-7-4-16(5-8-20)21(12-24(30)31)27-23(29)10-9-22(28)26-19-6-3-17-13-25-14-18(17)11-19/h3-8,11,15,21,25H,9-10,12-14H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)