CID 482023
(2r)-n-[(1s,2r)-1-benzyl-2-hydroxy-3-[[(2r,3s)-2-hydroxy-3-[(2-hydroxy-3,3-dimethyl-butanoyl)amino]-4-phenyl-butyl]amino]propyl]-2-hydroxy-2,3,3-trimethyl-butanamide
Structural Information
- Molecular Formula
- C33H51N3O6
- SMILES
- C[C@](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C(C(C)(C)C)O)O)O)(C(C)(C)C)O
- InChI
- InChI=1S/C33H51N3O6/c1-31(2,3)28(39)29(40)35-24(18-22-14-10-8-11-15-22)26(37)20-34-21-27(38)25(19-23-16-12-9-13-17-23)36-30(41)33(7,42)32(4,5)6/h8-17,24-28,34,37-39,42H,18-21H2,1-7H3,(H,35,40)(H,36,41)/t24-,25-,26+,27+,28?,33-/m0/s1
- InChIKey
- CVYLTKMIOHOKEH-YZMAUILLSA-N
- Compound name
- (2R)-2-hydroxy-N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-hydroxy-3,3-dimethylbutanoyl)amino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]-2,3,3-trimethylbutanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 586.38508 | 237.8 |
[M+Na]+ | 608.36702 | 230.5 |
[M-H]- | 584.37052 | 236.1 |
[M+NH4]+ | 603.41162 | 211.8 |
[M+K]+ | 624.34096 | 231.0 |
[M+H-H2O]+ | 568.37506 | 229.8 |
[M+HCOO]- | 630.37600 | 204.7 |
[M+CH3COO]- | 644.39165 | 260.2 |
[M+Na-2H]- | 606.35247 | 233.8 |
[M]+ | 585.37725 | 235.0 |
[M]- | 585.37835 | 235.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.