CID 95566024
Z-gly-ala-his-bna
Structural Information
- Molecular Formula
- C29H30N6O5
- SMILES
- C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)CNC(=O)OCC4=CC=CC=C4
- InChI
- InChI=1S/C29H30N6O5/c1-19(33-26(36)16-31-29(39)40-17-20-7-3-2-4-8-20)27(37)35-25(14-24-15-30-18-32-24)28(38)34-23-12-11-21-9-5-6-10-22(21)13-23/h2-13,15,18-19,25H,14,16-17H2,1H3,(H,30,32)(H,31,39)(H,33,36)(H,34,38)(H,35,37)/t19-,25-/m0/s1
- InChIKey
- NSTUGGBZPGMBQT-DFBJGRDBSA-N
- Compound name
- benzyl N-[2-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 543.23508 | 221.2 |
[M+Na]+ | 565.21702 | 219.2 |
[M-H]- | 541.22052 | 227.2 |
[M+NH4]+ | 560.26162 | 222.4 |
[M+K]+ | 581.19096 | 216.5 |
[M+H-H2O]+ | 525.22506 | 209.4 |
[M+HCOO]- | 587.22600 | 239.3 |
[M+CH3COO]- | 601.24165 | 254.2 |
[M+Na-2H]- | 563.20247 | 222.6 |
[M]+ | 542.22725 | 220.9 |
[M]- | 542.22835 | 220.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.