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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]propanoic acid hydrochloride Openeye Name: 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]propanoic acid hydrochloride IUPAC Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]propanoic acid hydrochloride Traditional Name: 3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]propionic acid hydrochloride Formula: C15H20ClN3O4 MolecularWeight: 341.79

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1)C=C(C=C2)NC(=O)CCC(=O)NCCC(=O)O.Cl

Isomeric SMILES

C1C2=C(CN1)C=C(C=C2)NC(=O)CCC(=O)NCCC(=O)O.Cl

InChI

InChI=1S/C15H19N3O4.ClH/c19-13(17-6-5-15(21)22)3-4-14(20)18-12-2-1-10-8-16-9-11(10)7-12;/h1-2,7,16H,3-6,8-9H2,(H,17,19)(H,18,20)(H,21,22);1H