CID 3080385
L-prolinamide, n-((hexahydro-1-butyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-l-histidyl-, hydrate
Structural Information
- Molecular Formula
- C20H29N7O5
- SMILES
- CCCCN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N
- InChI
- InChI=1S/C20H29N7O5/c1-2-3-6-27-16(28)9-13(25-20(27)32)18(30)24-14(8-12-10-22-11-23-12)19(31)26-7-4-5-15(26)17(21)29/h10-11,13-15H,2-9H2,1H3,(H2,21,29)(H,22,23)(H,24,30)(H,25,32)/t13-,14-,15-/m0/s1
- InChIKey
- TWGVFEWQAQUOKJ-KKUMJFAQSA-N
- Compound name
- (4S)-1-butyl-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 448.23030 | 203.5 |
[M+Na]+ | 470.21224 | 203.5 |
[M-H]- | 446.21574 | 203.8 |
[M+NH4]+ | 465.25684 | 206.1 |
[M+K]+ | 486.18618 | 200.1 |
[M+H-H2O]+ | 430.22028 | 193.3 |
[M+HCOO]- | 492.22122 | 211.7 |
[M+CH3COO]- | 506.23687 | 231.2 |
[M+Na-2H]- | 468.19769 | 194.7 |
[M]+ | 447.22247 | 196.2 |
[M]- | 447.22357 | 196.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.