CID 476810
(2s)-2-[[[4-[[[(2s)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1h-imidazol-5-yl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester
Structural Information
- Molecular Formula
- C31H38N4O6
- SMILES
- CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C(N=CN2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C
- InChI
- InChI=1S/C31H38N4O6/c1-30(2,3)40-28(38)22(17-20-13-9-7-10-14-20)34-26(36)24-25(33-19-32-24)27(37)35-23(29(39)41-31(4,5)6)18-21-15-11-8-12-16-21/h7-16,19,22-23H,17-18H2,1-6H3,(H,32,33)(H,34,36)(H,35,37)/t22-,23-/m0/s1
- InChIKey
- JJOJBADKVUQOSE-GOTSBHOMSA-N
- Compound name
- tert-butyl (2S)-2-[[4-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]-3-phenylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 563.28638 | 232.9 |
[M+Na]+ | 585.26832 | 230.6 |
[M-H]- | 561.27182 | 237.9 |
[M+NH4]+ | 580.31292 | 233.5 |
[M+K]+ | 601.24226 | 229.5 |
[M+H-H2O]+ | 545.27636 | 222.8 |
[M+HCOO]- | 607.27730 | 244.5 |
[M+CH3COO]- | 621.29295 | 253.5 |
[M+Na-2H]- | 583.25377 | 230.3 |
[M]+ | 562.27855 | 234.7 |
[M]- | 562.27965 | 234.7 |
Literature stripe
Patent stripe
No patent data available for this compound.