| SpectraBase Spectrum ID |
62zBNHgkmXa |
| Name |
Methyl (7S,10S,13S)-10-(benzylethanoate)-7-{[(benzyloxy)carbonyl]amino}-8,11-dioxo-19-oxa-9,12,17-triazatricyclo[14.2.1.0(6,18)]nonadeca-1(18),2,4,16-tetraene-13-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
642.232578682 u |
| Formula |
C34H34N4O9 |
| InChI |
InChI=1S/C34H34N4O9/c1-44-33(42)24-15-16-28-38-30-23(13-8-14-27(30)47-28)17-25(37-34(43)46-20-22-11-6-3-7-12-22)31(40)36-26(32(41)35-24)18-29(39)45-19-21-9-4-2-5-10-21/h2-14,24-26H,15-20H2,1H3,(H,35,41)(H,36,40)(H,37,43)/t24-,25-,26-/m0/s1 |
| InChIKey |
ANAKBKNEYCRPAM-GSDHBNRESA-N |
| Molecular Weight |
642.665 g/mol |
| SMILES |
C=12N=C3CC[C@](NC([C@@](NC([C@](CC1C=CC=C2O3)(NC(=O)OCC1=CC=CC=C1)[H])=O)(CC(=O)OCC=1C=CC=CC1)[H])=O)(C(=O)OC)[H] |
![Methyl (7S,10S,13S)-10-(benzylethanoate)-7-{[(benzyloxy)carbonyl]amino}-8,11-dioxo-19-oxa-9,12,17-triazatricyclo[14.2.1.0(6,18)]nonadeca-1(18),2,4,16-tetraene-13-carboxylate](/api/spectrum/62zBNHgkmXa/structure.png?h=300&w=458 "Methyl (7S,10S,13S)-10-(benzylethanoate)-7-{[(benzyloxy)carbonyl]amino}-8,11-dioxo-19-oxa-9,12,17-triazatricyclo[14.2.1.0(6,18)]nonadeca-1(18),2,4,16-tetraene-13-carboxylate")
