| SpectraBase Spectrum ID |
2FNYKBJqe5t |
| Name |
3,7,12-Triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-2-acetic acid, 3,7-diacetyl-12-[3-(benzoylamino)propyl]-16-methoxy-14-[(4-methoxyphenyl)methyl]-13-oxo-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
742.394164707 u |
| Formula |
C42H54N4O8 |
| InChI |
InChI=1S/C42H54N4O8/c1-30(47)44-22-9-10-23-45(24-11-21-43-41(50)33-13-7-6-8-14-33)42(51)37(27-32-15-18-35(52-3)19-16-32)36-28-34(17-20-39(36)53-4)38(29-40(49)54-5)46(31(2)48)26-12-25-44/h6-8,13-20,28,37-38H,9-12,21-27,29H2,1-5H3,(H,43,50) |
| InChIKey |
HJGZPQCAPAPMQL-UHFFFAOYSA-N |
| Molecular Weight |
742.914 g/mol |
| SMILES |
C1(N(CCCN(CCCCN(C(C(CC2=CC=C(C=C2)OC)C=2C=C1C=CC2OC)=O)CCCNC(=O)C1=CC=CC=C1)C(C)=O)C(C)=O)CC(OC)=O |
![3,7,12-Triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-2-acetic acid, 3,7-diacetyl-12-[3-(benzoylamino)propyl]-16-methoxy-14-[(4-methoxyphenyl)methyl]-13-oxo-, methyl ester](/api/spectrum/2FNYKBJqe5t/structure.png?h=300&w=458 "3,7,12-Triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-2-acetic acid, 3,7-diacetyl-12-[3-(benzoylamino)propyl]-16-methoxy-14-[(4-methoxyphenyl)methyl]-13-oxo-, methyl ester")
