CID 14061803
L-val-l-arg-appa
Structural Information
- Molecular Formula
- C16H31N6O7P
- SMILES
- CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C\CP(=O)(O)O)C(=O)O)N
- InChI
- InChI=1S/C16H31N6O7P/c1-9(2)12(17)14(24)21-10(5-3-7-20-16(18)19)13(23)22-11(15(25)26)6-4-8-30(27,28)29/h4,6,9-12H,3,5,7-8,17H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)(H2,27,28,29)/b6-4-/t10-,11-,12-/m0/s1
- InChIKey
- NPKRTHUUAUNSDZ-JKRRRGHXSA-N
- Compound name
- (Z,2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-phosphonopent-3-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 451.20648 | 185.8 |
[M+Na]+ | 473.18842 | 199.9 |
[M-H]- | 449.19192 | 201.8 |
[M+NH4]+ | 468.23302 | 189.1 |
[M+K]+ | 489.16236 | 189.0 |
[M+H-H2O]+ | 433.19646 | 174.6 |
[M+HCOO]- | 495.19740 | 172.8 |
[M+CH3COO]- | 509.21305 | 245.2 |
[M+Na-2H]- | 471.17387 | 178.6 |
[M]+ | 450.19865 | 167.7 |
[M]- | 450.19975 | 167.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.