CID 168010393
(2s)-n-[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s)-1-[(2s)-2-[(2s)-2-acetylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[(2s)-2-[[(2r,4s)-2,4-dimethyldec-9-ynoyl]-methylamino]propanoyl]-n-methylpyrrolidine-2-carboxamide
Structural Information
- Molecular Formula
- C60H94N8O9
- SMILES
- C[C@@H](CCCCC#C)C[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)C
- InChI
- InChI=1S/C60H94N8O9/c1-17-18-19-21-27-41(8)36-42(9)53(70)61(12)43(10)54(71)67-34-25-31-47(67)55(72)63(14)51(39(4)5)59(76)65(16)52(40(6)7)60(77)64(15)50(38(2)3)58(75)62(13)49(37-45-28-22-20-23-29-45)57(74)68-35-26-32-48(68)56(73)66-33-24-30-46(66)44(11)69/h1,20,22-23,28-29,38-43,46-52H,18-19,21,24-27,30-37H2,2-16H3/t41-,42+,43-,46-,47-,48-,49-,50+,51-,52-/m0/s1
- InChIKey
- XHANIXUWEUFGJS-RWYDVKHMSA-N
- Compound name
- (2S)-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-[(2S)-2-[[(2R,4S)-2,4-dimethyldec-9-ynoyl]-methylamino]propanoyl]-N-methylpyrrolidine-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 1071.7217 | 326.5 |
| [M+Na]+ | 1093.7036 | 325.0 |
| [M-H]- | 1069.7071 | 331.4 |
| [M+NH4]+ | 1088.7482 | 328.7 |
| [M+K]+ | 1109.6776 | 317.3 |
| [M+H-H2O]+ | 1053.7117 | 302.6 |
| [M+HCOO]- | 1115.7126 | 327.8 |
| [M+CH3COO]- | 1129.7283 | 345.0 |
| [M+Na-2H]- | 1091.6891 | 350.1 |
| [M]+ | 1070.7139 | 372.0 |
| [M]- | 1070.7149 | 372.0 |
Literature stripe
Patent stripe
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