CID 73352
            
    Peptide t
Structural Information
- Molecular Formula
 - C35H55N9O16
 - SMILES
 - C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)O
 - InChI
 - InChI=1S/C35H55N9O16/c1-13(36)28(52)40-22(12-45)31(55)41-25(15(3)47)33(57)43-26(16(4)48)34(58)42-24(14(2)46)32(56)39-21(11-23(37)51)29(53)38-20(10-18-6-8-19(50)9-7-18)30(54)44-27(17(5)49)35(59)60/h6-9,13-17,20-22,24-27,45-50H,10-12,36H2,1-5H3,(H2,37,51)(H,38,53)(H,39,56)(H,40,52)(H,41,55)(H,42,58)(H,43,57)(H,44,54)(H,59,60)/t13-,14+,15+,16+,17+,20-,21-,22-,24-,25-,26-,27-/m0/s1
 - InChIKey
 - IWHCAJPPWOMXNW-LYKMMFCUSA-N
 - Compound name
 - (2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
 - Related CIDs
 
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) | 
|---|---|---|
| [M+H]+ | 858.38393 | 283.3 | 
| [M+Na]+ | 880.36587 | 273.5 | 
| [M-H]- | 856.36937 | 290.6 | 
| [M+NH4]+ | 875.41047 | 283.4 | 
| [M+K]+ | 896.33981 | 274.5 | 
| [M+H-H2O]+ | 840.37391 | 259.0 | 
| [M+HCOO]- | 902.37485 | 283.2 | 
| [M+CH3COO]- | 916.39050 | 285.4 | 
| [M+Na-2H]- | 878.35132 | 325.6 | 
| [M]+ | 857.37610 | 311.3 | 
| [M]- | 857.37720 | 311.3 |