| SpectraBase Spectrum ID |
HYYu9qGtVwt |
| Name |
O,N-PERMETHYLATED MODIFIED TFA-BRADYKININ |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C72H100F3N15O12 |
| InChI |
InChI=1S/C72H100F3N15O12/c1-46-40-47(2)77-70(76-46)80(5)35-21-30-52(87(12)69(100)72(73,74)75)65(96)90-39-25-33-55(90)66(97)88-37-23-31-53(88)61(92)82(7)44-60(91)83(8)57(42-50-26-17-15-18-27-50)63(94)86(11)59(45-101-13)67(98)89-38-24-32-54(89)62(93)85(10)58(43-51-28-19-16-20-29-51)64(95)84(9)56(68(99)102-14)34-22-36-81(6)71-78-48(3)41-49(4)79-71/h15-20,26-29,40-41,52-59H,21-25,30-39,42-45H2,1-14H3 |
| InChIKey |
XZAXOYAJYXZZRC-UHFFFAOYSA-N |
| Molecular Weight |
1423.7606 |
| SMILES |
C(C(F)(F)F)(=O)N(C)C(CCCN(c1nc(C)cc(C)n1)C)C(N1C(C(=O)N2C(C(N(C)CC(N(C(C(N(C(C(N3CCCC3C(N(C(C(N(C(CCCN(c3nc(C)cc(C)n3)C)C(OC)=O)C)=O)Cc3ccccc3)C)=O)=O)COC)C)=O)Cc3ccccc3)C)=O)=O)CCC2)CCC1)=O |
| SPLASH |
splash10-0fml-8943311322-9a78d237013399b4295f |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
