| SpectraBase Spectrum ID |
I8J1V7ukcq8 |
| Name |
[(4S,5S)-2-Keto-1,3-dimethyl-4,5-di(phenyl)-1,3-diaza-2$L^{5}-phosphacyclopent-2-yl]-[7-[[(4S,5S)-2-keto-1,3-dimethyl-4,5-di(phenyl)-1,3-diaza-2$L^{5}-phosphacyclopent-2-yl]-methyl-amino]heptyl]-methyl-amine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
726.393999061 u |
| Formula |
C41H56N6O2P2 |
| InChI |
InChI=1S/C41H56N6O2P2/c1-42(50(48)44(3)38(34-24-14-10-15-25-34)39(45(50)4)35-26-16-11-17-27-35)32-22-8-7-9-23-33-43(2)51(49)46(5)40(36-28-18-12-19-29-36)41(47(51)6)37-30-20-13-21-31-37/h10-21,24-31,38-41H,7-9,22-23,32-33H2,1-6H3/t38-,39-,40-,41-/m0/s1 |
| InChIKey |
LJWACYVACDAFJQ-MFDNGWNGSA-N |
| Molecular Weight |
726.887 g/mol |
| SMILES |
[C@@]1(N(P(N([C@]1(C1=CC=CC=C1)[H])C)(=O)N(C)CCCCCCCN(C)P1(=O)N(C)[C@]([C@@](N1C)(C1=CC=CC=C1)[H])(C1=CC=CC=C1)[H])C)(C1=CC=CC=C1)[H] |
![[(4S,5S)-2-keto-1,3-dimethyl-4,5-di(phenyl)-1,3-diaza-2$l^{5}-phosphacyclopent-2-yl]-[7-[[(4S,5S)-2-keto-1,3-dimethyl-4,5-di(phenyl)-1,3-diaza-2$l^{5}-phosphacyclopent-2-yl]-methyl-amino]heptyl]-methyl-amine](/api/spectrum/I8J1V7ukcq8/structure.png?h=300&w=458 "[(4S,5S)-2-keto-1,3-dimethyl-4,5-di(phenyl)-1,3-diaza-2$l^{5}-phosphacyclopent-2-yl]-[7-[[(4S,5S)-2-keto-1,3-dimethyl-4,5-di(phenyl)-1,3-diaza-2$l^{5}-phosphacyclopent-2-yl]-methyl-amino]heptyl]-methyl-amine")
