CID 506786
(2s,4r)-4-benzyloxy-n-[(1s)-1-formylpropyl]-1-[(2s)-3-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]butanoyl]pyrrolidine-2-carboxamide
Structural Information
- Molecular Formula
- C29H36N4O7
- SMILES
- CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])OCC3=CC=CC=C3
- InChI
- InChI=1S/C29H36N4O7/c1-4-22(17-34)30-28(36)25-15-23(40-18-20-10-6-5-7-11-20)16-32(25)29(37)27(19(2)3)31-26(35)14-21-12-8-9-13-24(21)33(38)39/h5-13,17,19,22-23,25,27H,4,14-16,18H2,1-3H3,(H,30,36)(H,31,35)/t22-,23+,25-,27-/m0/s1
- InChIKey
- BCMSBRUDYNRNPV-STMVPXLDSA-N
- Compound name
- (2S,4R)-1-[(2S)-3-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]butanoyl]-N-[(2S)-1-oxobutan-2-yl]-4-phenylmethoxypyrrolidine-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 553.26568 | 231.3 |
[M+Na]+ | 575.24762 | 227.1 |
[M-H]- | 551.25112 | 237.7 |
[M+NH4]+ | 570.29222 | 232.9 |
[M+K]+ | 591.22156 | 221.8 |
[M+H-H2O]+ | 535.25566 | 225.0 |
[M+HCOO]- | 597.25660 | 246.9 |
[M+CH3COO]- | 611.27225 | 249.7 |
[M+Na-2H]- | 573.23307 | 226.1 |
[M]+ | 552.25785 | 229.6 |
[M]- | 552.25895 | 229.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.