CID 11072746
Chebi:232790
Structural Information
- Molecular Formula
- C29H48N6O16
- SMILES
- C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O
- InChI
- InChI=1S/C29H48N6O16/c1-11(31-24(41)13(3)50-22-20(33-14(4)37)29(49)51-18(10-36)21(22)39)23(40)35-17(28(47)48)8-9-19(38)34-16(7-5-6-15(30)27(45)46)25(42)32-12(2)26(43)44/h11-13,15-18,20-22,29,36,39,49H,5-10,30H2,1-4H3,(H,31,41)(H,32,42)(H,33,37)(H,34,38)(H,35,40)(H,43,44)(H,45,46)(H,47,48)/t11-,12+,13+,15+,16-,17+,18+,20+,21+,22+,29?/m0/s1
- InChIKey
- SNDIFOBDOCOCIM-XTSFYNSWSA-N
- Compound name
- (2R,6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(1R)-1-carboxyethyl]amino]-7-oxoheptanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 737.31998 | 258.9 |
[M+Na]+ | 759.30192 | 251.6 |
[M-H]- | 735.30542 | 261.8 |
[M+NH4]+ | 754.34652 | 259.0 |
[M+K]+ | 775.27586 | 252.0 |
[M+H-H2O]+ | 719.30996 | 240.9 |
[M+HCOO]- | 781.31090 | 259.8 |
[M+CH3COO]- | 795.32655 | 262.9 |
[M+Na-2H]- | 757.28737 | 296.5 |
[M]+ | 736.31215 | 280.7 |
[M]- | 736.31325 | 280.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.