| SpectraBase Spectrum ID |
1NT8cfFrU4r |
| Name |
(8S)-13-acetyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-8-phenyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| CAS Registry Number |
85559-65-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H40N4O3 |
| InChI |
InChI=1S/C30H40N4O3/c1-25(35)33-20-8-9-21-34(30(37)17-16-26-12-4-2-5-13-26)23-11-19-32-29(36)24-28(31-18-10-22-33)27-14-6-3-7-15-27/h2-7,12-17,28,31H,8-11,18-24H2,1H3,(H,32,36)/b17-16+/t28-/m0/s1 |
| InChIKey |
QWIQBGWKCLURMP-XEKAQFCISA-N |
| Molecular Weight |
504.675 g/mol |
| SMILES |
N1CCCN(CCCCN(CCCN[C@@](CC1=O)(c1ccccc1)[H])C(=O)C)C(\C=C\c1ccccc1)=O |
| SPLASH |
splash10-001i-5911000000-dd482cdf97adc8cbeeb3 |
| Source of Spectrum |
H-65-2545-0 |
| Synonyms |
(8S)-13-acetyl-8-phenyl-1-[(E)-3-phenylacryloyl]-1,5,9,13-tetrazacycloheptadecan-6-one
(8S)-13-acetyl-8-phenyl-1-[(E)-3-phenylprop-2-enoyl]-1,5,9,13-tetrazacycloheptadecan-6-one
(8S)-13-ethanoyl-8-phenyl-1-[(E)-3-phenylprop-2-enoyl]-1,5,9,13-tetrazacycloheptadecan-6-one |
| Wiley ID |
1399620 |
![(8S)-13-acetyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-8-phenyl-1,5,9,13-tetrazacycloheptadecan-6-one](/api/spectrum/1NT8cfFrU4r/structure.png?h=300&w=458 "(8S)-13-acetyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-8-phenyl-1,5,9,13-tetrazacycloheptadecan-6-one")
