| SpectraBase Spectrum ID |
HjE8xDJJwCV |
| Name |
5-(Benzyloxy)-2-(N-carbobenzyloxy-S-cystinyl)-3,4-dihydroxybenzoic Acid Dibenzyl Ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H35NO9S |
| InChI |
InChI=1S/C39H35NO9S/c41-34-33(46-22-27-13-5-1-6-14-27)21-31(37(43)47-23-28-15-7-2-8-16-28)36(35(34)42)50-26-32(38(44)48-24-29-17-9-3-10-18-29)40-39(45)49-25-30-19-11-4-12-20-30/h1-21,32,41-42H,22-26H2,(H,40,45) |
| InChIKey |
IRKMKVHIQAGQRD-UHFFFAOYSA-N |
| Molecular Weight |
693.767 g/mol |
| SMILES |
Oc1c(c(cc(c1SCC(C(OCc1ccccc1)=O)NC(=O)OCc1ccccc1)C(OCc1ccccc1)=O)OCc1ccccc1)O |
| SPLASH |
splash10-0006-9000000000-d095dfc1ec35b034c450 |
| Source of Spectrum |
J-61-6662-16 |
| Synonyms |
benzyl 5-(benzyloxy)-2-[(3-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-3-oxopropyl)sulfanyl]-3,4-dihydroxybenzoate |
| Wiley ID |
1414829 |
