CID 132814
Fk-633
Structural Information
- Molecular Formula
- C20H28N4O7
- SMILES
- CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCOC1=CC=C(C=C1)C(=N)N
- InChI
- InChI=1S/C20H28N4O7/c1-11(2)17(20(29)30)24-19(28)14(10-16(26)27)23-15(25)4-3-9-31-13-7-5-12(6-8-13)18(21)22/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H3,21,22)(H,23,25)(H,24,28)(H,26,27)(H,29,30)/t14-,17-/m0/s1
- InChIKey
- JFCXCBBSUORTNS-YOEHRIQHSA-N
- Compound name
- (2S)-2-[[(2S)-2-[4-(4-carbamimidoylphenoxy)butanoylamino]-3-carboxypropanoyl]amino]-3-methylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 437.20308 | 203.1 |
[M+Na]+ | 459.18502 | 200.7 |
[M-H]- | 435.18852 | 201.9 |
[M+NH4]+ | 454.22962 | 202.1 |
[M+K]+ | 475.15896 | 201.8 |
[M+H-H2O]+ | 419.19306 | 194.1 |
[M+HCOO]- | 481.19400 | 218.8 |
[M+CH3COO]- | 495.20965 | 239.0 |
[M+Na-2H]- | 457.17047 | 195.5 |
[M]+ | 436.19525 | 200.6 |
[M]- | 436.19635 | 200.6 |