CID 5287712
24429-05-8
Structural Information
- Molecular Formula
- C18H30N8O6S
- SMILES
- CCNC1=NC(=NC(=N1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(C)C
- InChI
- InChI=1S/C18H30N8O6S/c1-4-20-16-24-17(22-9(2)3)26-18(25-16)33-8-11(14(30)21-7-13(28)29)23-12(27)6-5-10(19)15(31)32/h9-11H,4-8,19H2,1-3H3,(H,21,30)(H,23,27)(H,28,29)(H,31,32)(H2,20,22,24,25,26)/t10-,11-/m0/s1
- InChIKey
- WDLCRTLULMGVMR-QWRGUYRKSA-N
- Compound name
- (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 487.20818 | 207.4 |
[M+Na]+ | 509.19012 | 205.1 |
[M-H]- | 485.19362 | 203.1 |
[M+NH4]+ | 504.23472 | 207.2 |
[M+K]+ | 525.16406 | 204.2 |
[M+H-H2O]+ | 469.19816 | 197.2 |
[M+HCOO]- | 531.19910 | 216.4 |
[M+CH3COO]- | 545.21475 | 248.8 |
[M+Na-2H]- | 507.17557 | 203.4 |
[M]+ | 486.20035 | 207.4 |
[M]- | 486.20145 | 207.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.