6-{2-[(tert-butoxycarbonyl)amino]-3-[(triphenylmethyl)sulfanyl]propanamido}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

Formula: C48H51N3O7S

SMILES: CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NCCCCC(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O

IUPAC: 6-(2-{[(tert-butoxy)carbonyl]amino}-3-[(triphenylmethyl)sulfanyl]propanamido)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid

InChI: InChI=1/C48H51N3O7S/c1-47(2,3)58-46(56)51-42(32-59-48(33-19-7-4-8-20-33,34-21-9-5-10-22-34)35-23-11-6-12-24-35)43(52)49-30-18-17-29-41(44(53)54)50-45(55)57-31-40-38-27-15-13-25-36(38)37-26-14-16-28-39(37)40/h4-16,19-28,40-42H,17-18,29-32H2,1-3H3,(H,49,52)

Composition: C (70.83%), H (6.32%), N (5.16%), O (13.76%), S (3.94%)

Molar Mass: 814.01

Atom Count: 110

Heavy Atom Count: 59