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

Systemtic Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]propanoic acid Openeye Name: 3-[[4-(isoindolin-5-ylamino)-4-oxo-butanoyl]amino]propanoic acid CAS Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-1,4-dioxobutyl]amino]propanoic acid IUPAC Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]propanoic acid Traditional Name: 3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]propionic acid Formula: C15H19N3O4 MolecularWeight: 305.32906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4/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)