CID 481896
[2s-[2r*,3s*(2s*,3r*)]]-[3-[[3-[[(1,1-dimethylethoxy)carbonyl]amino-2-hydroxy-4-phenylbutyl]amino-2-hydroxy-4-phenylbutyl]carbamic acid, phenyl-methyl ester
Structural Information
- Molecular Formula
- C33H43N3O6
- SMILES
- CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN[C@H](CC2=CC=CC=C2)[C@H](CNC(=O)OCC3=CC=CC=C3)O)O
- InChI
- InChI=1S/C33H43N3O6/c1-33(2,3)42-32(40)36-28(20-25-15-9-5-10-16-25)30(38)21-34-27(19-24-13-7-4-8-14-24)29(37)22-35-31(39)41-23-26-17-11-6-12-18-26/h4-18,27-30,34,37-38H,19-23H2,1-3H3,(H,35,39)(H,36,40)/t27-,28+,29+,30-/m1/s1
- InChIKey
- USEOKEQUZURBQJ-IBHPWDLASA-N
- Compound name
- benzyl N-[(2S,3R)-2-hydroxy-3-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-4-phenylbutyl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 578.32248 | 238.9 |
[M+Na]+ | 600.30442 | 232.8 |
[M-H]- | 576.30792 | 242.7 |
[M+NH4]+ | 595.34902 | 238.0 |
[M+K]+ | 616.27836 | 231.6 |
[M+H-H2O]+ | 560.31246 | 227.5 |
[M+HCOO]- | 622.31340 | 252.0 |
[M+CH3COO]- | 636.32905 | 258.0 |
[M+Na-2H]- | 598.28987 | 236.0 |
[M]+ | 577.31465 | 238.3 |
[M]- | 577.31575 | 238.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.