| SpectraBase Spectrum ID |
1itlD3Gg9Rp |
| Name |
2-Oxa-9,13,18-triazatricyclo[20.2.2.13,7]heptacosa-3,5,7(27),20,22,24,25-heptaene-8-acetic acid, 9,13-diacetyl-18-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]-4-methoxy-19-oxo-, methyl ester, [S-(Z)]- |
| Alternate Name(s) |
Methyl 2,6-diacetyl-11-{3-[(t-butoxycarbonyl)amino]propyl}-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro-17-methoxy-12-oxodibenzo[no,rst][17,1,5,10]oxatriazadocosen-1-acetate
Methyl[(8S)-9,13-diacetyl-18-{3-[(tert-butoxycarbonyl)amino]propyl}-4-methoxy-19-oxo-2-oxa-9,13,18-triazatricyclo[20.2.2.1(3,7)]heptacosa-1(24),3(27),4,6,20,22,25-heptaen-8-yl]acetate |
| CAS Registry Number |
114639-91-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C39H54N4O9 |
| InChI |
InChI=1S/C39H54N4O9/c1-28(44)41-21-8-9-22-42(23-10-20-40-38(48)52-39(3,4)5)36(46)19-14-30-12-16-32(17-13-30)51-35-26-31(15-18-34(35)49-6)33(27-37(47)50-7)43(29(2)45)25-11-24-41/h12-19,26,33H,8-11,20-25,27H2,1-7H3,(H,40,48)/b19-14-/t33-/m0/s1 |
| InChIKey |
PYPWYVWKXUKKKY-KWIVBHORSA-N |
| Molecular Weight |
722.880 g/mol |
| SMILES |
N(C(OC(C)(C)C)=O)CCCN1C(\C=C/c2ccc(Oc3cc([C@@](N(C(=O)C)CCCN(C(=O)C)CCCC1)(CC(=O)OC)[H])ccc3OC)cc2)=O |
| SPLASH |
splash10-0c09-0636049000-5862ec0dcf173534ce6b |
| Source of Spectrum |
H-71-223-8 |
| Wiley ID |
1415692 |
![2-Oxa-9,13,18-triazatricyclo[20.2.2.13,7]heptacosa-3,5,7(27),20,22,24,25-heptaene-8-acetic acid, 9,13-diacetyl-18-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]-4-methoxy-19-oxo-, methyl ester, [S-(Z)]-](/api/spectrum/1itlD3Gg9Rp/structure.png?h=300&w=458 "2-Oxa-9,13,18-triazatricyclo[20.2.2.13,7]heptacosa-3,5,7(27),20,22,24,25-heptaene-8-acetic acid, 9,13-diacetyl-18-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]-4-methoxy-19-oxo-, methyl ester, [S-(Z)]-")
