CID 449555
Glutathionylspermidine disulfide
Structural Information
- Molecular Formula
- C34H66N12O10S2
- SMILES
- C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC[C@H](C(=O)O)N)CN
- InChI
- InChI=1S/C34H66N12O10S2/c35-11-1-3-13-39-15-5-17-41-29(49)19-43-31(51)25(45-27(47)9-7-23(37)33(53)54)21-57-58-22-26(46-28(48)10-8-24(38)34(55)56)32(52)44-20-30(50)42-18-6-16-40-14-4-2-12-36/h23-26,39-40H,1-22,35-38H2,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H,45,47)(H,46,48)(H,53,54)(H,55,56)/t23-,24-,25+,26+/m1/s1
- InChIKey
- HCMZDPYSWPSKSP-XPGKHFPBSA-N
- Compound name
- (2R)-2-amino-5-[[(2R)-1-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-3-[[(2R)-3-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]-3-oxopropyl]disulfanyl]-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]+ | 867.45394 | 286.8 |
[M+Na]+ | 889.43588 | 283.4 |
[M-H]- | 865.43938 | 287.9 |
[M+NH4]+ | 884.48048 | 288.2 |
[M+K]+ | 905.40982 | 285.7 |
[M+H-H2O]+ | 849.44392 | 268.5 |
[M+HCOO]- | 911.44486 | 287.9 |
[M+CH3COO]- | 925.46051 | 289.9 |
[M+Na-2H]- | 887.42133 | 328.2 |
[M]+ | 866.44611 | 321.9 |
[M]- | 866.44721 | 321.9 |
Literature stripe
Patent stripe
No patent data available for this compound.