![Benzyl 5-[(benzyloxy)carbonyl]-11-[(benzylsulfanyl)methyl]-14-methyl-3,9,12-trioxo-1-phenyl-2-oxa-4,10,13-triazapentadecan-15-oate](/api/spectrum/4NJKXg0EHpL/structure.png?h=300&w=458 "Benzyl 5-[(benzyloxy)carbonyl]-11-[(benzylsulfanyl)methyl]-14-methyl-3,9,12-trioxo-1-phenyl-2-oxa-4,10,13-triazapentadecan-15-oate")
| SpectraBase Compound ID | 2QQkKpq6cRV |
|---|---|
| InChI | InChI=1S/C41H45N3O8S/c1-30(39(47)50-25-31-15-6-2-7-16-31)42-38(46)36(29-53-28-34-21-12-5-13-22-34)43-37(45)24-14-23-35(40(48)51-26-32-17-8-3-9-18-32)44-41(49)52-27-33-19-10-4-11-20-33/h2-13,15-22,30,35-36H,14,23-29H2,1H3,(H,42,46)(H,43,45)(H,44,49) |
| InChIKey | XZLPHVDHZTZURZ-UHFFFAOYSA-N |
| Mol Weight | 739.9 g/mol |
| Molecular Formula | C41H45N3O8S |
| Exact Mass | 739.292737 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4NJKXg0EHpL |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C41H45N3O8S |
| InChI | InChI=1S/C41H45N3O8S/c1-30(39(47)50-25-31-15-6-2-7-16-31)42-38(46)36(29-53-28-34-21-12-5-13-22-34)43-37(45)24-14-23-35(40(48)51-26-32-17-8-3-9-18-32)44-41(49)52-27-33-19-10-4-11-20-33/h2-13,15-22,30,35-36H,14,23-29H2,1H3,(H,42,46)(H,43,45)(H,44,49) |
| InChIKey | XZLPHVDHZTZURZ-UHFFFAOYSA-N |
| Molecular Weight | 739.2916 |
| SMILES | N(C(CCCC(NC(C(NC(C(OCc1ccccc1)=O)C)=O)CSCc1ccccc1)=O)C(OCc1ccccc1)=O)C(=O)OCc1ccccc1 |
| SPLASH | splash10-0006-9300000000-c9fea4dcab5fc0437766 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |