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

Systemtic Name: 3-[[5-(2,3-dihydro-1H-isoindol-5-ylamino)-5-oxidanylidene-pentanoyl]amino]propanoic acid hydrochloride Openeye Name: 3-[[5-(isoindolin-5-ylamino)-5-oxo-pentanoyl]amino]propanoic acid hydrochloride CAS Name: 3-[[5-(2,3-dihydro-1H-isoindol-5-ylamino)-1,5-dioxopentyl]amino]propanoic acid hydrochloride IUPAC Name: 3-[[5-(2,3-dihydro-1H-isoindol-5-ylamino)-5-oxopentanoyl]amino]propanoic acid hydrochloride Traditional Name: 3-[[5-(isoindolin-5-ylamino)-5-keto-pentanoyl]amino]propionic acid hydrochloride Formula: C16H22ClN3O4 MolecularWeight: 355.81658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4.ClH/c20-14(18-7-6-16(22)23)2-1-3-15(21)19-13-5-4-11-9-17-10-12(11)8-13;/h4-5,8,17H,1-3,6-7,9-10H2,(H,18,20)(H,19,21)(H,22,23);1H