(2S)-6-{[(benzyloxy)carbonyl]amino}-2-[bis(carboxymethyl)amino]hexanoic acid

CAS: 113231-04-2

Formula: C18H24N2O8

SMILES: OC(=O)CN(CC(O)=O)[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(O)=O

IUPAC: (2S)-6-{[(benzyloxy)carbonyl]amino}-2-[bis(carboxymethyl)amino]hexanoic acid

InChI: InChI=1S/C18H24N2O8/c21-15(22)10-20(11-16(23)24)14(17(25)26)8-4-5-9-19-18(27)28-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,27)(H,21,22)(H,23,24)(H,25,26)/t14-/m0/s1

Composition: C (54.54%), H (6.10%), N (7.07%), O (32.29%)

Molar Mass: 396.396

Atom Count: 52

Heavy Atom Count: 28