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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]-3-[4-(2-methylpropoxy)phenyl]propanoic acid hydrochloride Openeye Name: 3-(4-isobutoxyphenyl)-3-[[4-(isoindolin-5-ylamino)-4-oxo-butanoyl]amino]propanoic acid hydrochloride CAS Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-1,4-dioxobutyl]amino]-3-[4-(2-methylpropoxy)phenyl]propanoic acid hydrochloride IUPAC Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]-3-[4-(2-methylpropoxy)phenyl]propanoic acid hydrochloride Traditional Name: 3-(4-isobutoxyphenyl)-3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]propionic acid hydrochloride Formula: C25H32ClN3O5 MolecularWeight: 489.99168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2.Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC3=C(CNC3)C=C2.Cl

InChI

InChI=1S/C25H31N3O5.ClH/c1-16(2)15-33-21-7-4-17(5-8-21)22(12-25(31)32)28-24(30)10-9-23(29)27-20-6-3-18-13-26-14-19(18)11-20;/h3-8,11,16,22,26H,9-10,12-15H2,1-2H3,(H,27,29)(H,28,30)(H,31,32);1H