(2S)-4-carbamoyl-2-[(2S)-2-(1,3-dioxoisoindol-2-yl)propanamido]butanoic acid

CAS: 888939-48-8

Formula: C16H17N3O6

SMILES: C[C@H](N1C(=O)C2=CC=CC=C2C1=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O

IUPAC: (2S)-4-carbamoyl-2-[(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]butanoic acid

InChI: InChI=1S/C16H17N3O6/c1-8(13(21)18-11(16(24)25)6-7-12(17)20)19-14(22)9-4-2-3-5-10(9)15(19)23/h2-5,8,11H,6-7H2,1H3,(H2,17,20)(H,18,21)(H,24,25)/t8-,11-/m0/s1

Composition: C (55.33%), H (4.93%), N (12.10%), O (27.64%)

Molar Mass: 347.327

Atom Count: 42

Heavy Atom Count: 25