3-(2-{3-[(tert-butoxycarbonyl)amino]propanamido}-3-(2-carboxyethoxy)-2-[(2-carboxyethoxy)methyl]propoxy)propanoic acid

CAS: 490040-39-6

Formula: C21H36N2O12

SMILES: CC(C)(C)OC(=O)NCCC(=O)NC(COCCC(O)=O)(COCCC(O)=O)COCCC(O)=O

IUPAC: 3-[2-(3-{[(tert-butoxy)carbonyl]amino}propanamido)-3-(2-carboxyethoxy)-2-[(2-carboxyethoxy)methyl]propoxy]propanoic acid

InChI: InChI=1S/C21H36N2O12/c1-20(2,3)35-19(31)22-8-4-15(24)23-21(12-32-9-5-16(25)26,13-33-10-6-17(27)28)14-34-11-7-18(29)30/h4-14H2,1-3H3,(H,22,31)(H,23,24)(H,25,26)(H,27,28)(H,29,30)

Composition: C (49.60%), H (7.14%), N (5.51%), O (37.75%)

Molar Mass: 508.521

Atom Count: 71

Heavy Atom Count: 35