CID 14972243
6803-16-3
Structural Information
- Molecular Formula
- C14H25N3O6S
- SMILES
- CCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
- InChI
- InChI=1S/C14H25N3O6S/c1-2-3-6-24-8-10(13(21)16-7-12(19)20)17-11(18)5-4-9(15)14(22)23/h9-10H,2-8,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t9-,10-/m0/s1
- InChIKey
- YGCGHOZSELIPKD-UWVGGRQHSA-N
- Compound name
- (2S)-2-amino-5-[[(2R)-3-butylsulfanyl-1-(carboxymethylamino)-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]+ | 364.15368 | 185.5 |
[M+Na]+ | 386.13562 | 184.1 |
[M-H]- | 362.13912 | 180.4 |
[M+NH4]+ | 381.18022 | 200.0 |
[M+K]+ | 402.10956 | 182.8 |
[M+H-H2O]+ | 346.14366 | 177.3 |
[M+HCOO]- | 408.14460 | 196.2 |
[M+CH3COO]- | 422.16025 | 218.0 |
[M+Na-2H]- | 384.12107 | 178.7 |
[M]+ | 363.14585 | 185.9 |
[M]- | 363.14695 | 185.9 |