| SpectraBase Spectrum ID |
KtFE54t3tzT |
| Name |
O,N-permethylated modified TFA-bradykinin |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
1424.680 g/mol |
| SMILES |
C(N(C(C(=O)N1CCCC1C(N1CCCC1C(=O)N(CC(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(COC)C(=O)N1C(CCC1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(C(=O)OC)CCCN(C)c1nc(cc(n1)C)C)C)=O)CCCN(C)c1nc(cc(n1)C)C)C)(=O)C(F)(F)F |
| SPLASH |
splash10-0fml-8943311322-9a78d237013399b4295f |
| Synonyms |
Methyl 5-[(4,6-dimethyl-2-pyrimidinyl)(methyl)amino]-2-[{2-[[(1-{2-[{2-[{[({1-[(1-{5-[(4,6-dimethyl-2-pyrimidinyl)(methyl)amino]-2-[methyl(trifluoroacetyl)amino]pentanoyl}-2-pyrrolidinyl)carbonyl]-2-P
Methyl 5-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]-2-(2-{1-[1-(2-{2-[2-(1-{1-[(1-{5-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]-2-(2,2,2-trifluoro-N-methylacetamido)pentanoyl}pyrrolidin-2-yl)carbonyl]pyrrolidin-2-yl}-N-methylformamido)-N-methylacetamido]-N-methyl-3-phenylpropanamido}-3-methoxypropanoyl)pyrrolidin-2-yl]-N-methylformamido}-N-methyl-3-phenylpropanamido)pentanoate |
| Wiley ID |
1475928 |
