CID 90658680
(e)-1-(l-cysteinylglycin-s-yl)-n-hydroxy-omega-(methylsulfanyl)octan-1-imine
Structural Information
- Molecular Formula
- C14H27N3O4S2
- SMILES
- CSCCCCCCC/C(=N\O)/SC[C@@H](C(=O)NCC(=O)O)N
- InChI
- InChI=1S/C14H27N3O4S2/c1-22-8-6-4-2-3-5-7-12(17-21)23-10-11(15)14(20)16-9-13(18)19/h11,21H,2-10,15H2,1H3,(H,16,20)(H,18,19)/b17-12+/t11-/m0/s1
- InChIKey
- AFUUQIYPOMVOTN-GBTTUNCCSA-N
- Compound name
- 2-[[(2R)-2-amino-3-[(E)-N-hydroxy-C-(7-methylsulfanylheptyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 366.15158 | 184.2 |
[M+Na]+ | 388.13352 | 183.3 |
[M-H]- | 364.13702 | 179.7 |
[M+NH4]+ | 383.17812 | 194.2 |
[M+K]+ | 404.10746 | 178.7 |
[M+H-H2O]+ | 348.14156 | 175.6 |
[M+HCOO]- | 410.14250 | 191.5 |
[M+CH3COO]- | 424.15815 | 218.0 |
[M+Na-2H]- | 386.11897 | 179.0 |
[M]+ | 365.14375 | 186.0 |
[M]- | 365.14485 | 186.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.