(6S,11R,16S,21S)-21,6-Dibenzyl 22-tert-butyl 11,16-bis((2-(benzyloxy)-2-oxoethyl)carbamoyl)-2,2-dimethyl-4,9,18-trioxo-3-oxa-13,14-dithia-5,10,17-triazadocosane-6,21,22-tricarboxylate-d10

Analyte Name

(6S,11R,16S,21S)-21,6-Dibenzyl 22-tert-butyl 11,16-bis((2-(benzyloxy)-2-oxoethyl)carbamoyl)-2,2-dimethyl-4,9,18-trioxo-3-oxa-13,14-dithia-5,10,17-triazadocosane-6,21,22-tricarboxylate-d10

Molecular Formula

C58H62D10N6O16S2

Molecular Weight

1183.41

Accurate Mass

1182.51

SMILES

O=C([C@H](CSSC[C@@H](NC(C([2H])([2H])C([2H])([2H])C(NC(OC(C)(C)C)=O)([2H])C(OCC1=CC=CC=C1)=O)=O)C(NCC(OCC2=CC=CC=C2)=O)=O)NC(C([2H])([2H])C([2H])([2H])C(NC(OC(C)(C)C)=O)([2H])C(OCC3=CC=CC=C3)=O)=O)NCC(OCC4=CC=CC=C4)=O

InChI

InChI=1S/C58H72N6O16S2/c1-57(2,3)79-55(73)63-43(53(71)77-35-41-23-15-9-16-24-41)27-29-47(65)61-45(51(69)59-31-49(67)75-33-39-19-11-7-12-20-39)37-81-82-38-46(52(70)60-32-50(68)76-34-40-21-13-8-14-22-40)62-48(66)30-28-44(64-56(74)80-58(4,5)6)54(72)78-36-42-25-17-10-18-26-42/h7-26,43-46H,27-38H2,1-6H3,(H,59,69)(H,60,70)(H,61,65)(H,62,66)(H,63,73)(H,64,74)/t43-,44+,45+,46-/i27D2,28D2,29D2,30D2,43D,44D

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat