CID 15955902

Tb-(d,l)k-neamine

Structural Information

Molecular Formula
C25H44N8O10
SMILES
CC1=CN(C(=O)NC1=O)CC(=O)N[C@@H](CCCCN)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O
InChI
InChI=1S/C25H44N8O10/c1-10-8-33(25(41)32-22(10)39)9-15(34)31-13(4-2-3-5-26)23(40)30-7-14-18(36)19(37)16(29)24(42-14)43-21-12(28)6-11(27)17(35)20(21)38/h8,11-14,16-21,24,35-38H,2-7,9,26-29H2,1H3,(H,30,40)(H,31,34)(H,32,39,41)/t11-,12+,13+,14-,16-,17+,18-,19-,20-,21-,24-/m1/s1
InChIKey
YXZAQFFENBXYMI-CJCRZWEYSA-N
Compound name
(2S)-6-amino-N-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methyl]-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

616.31805 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.32533 237.3
[M+Na]+ 639.30727 236.7
[M-H]- 615.31077 229.8
[M+NH4]+ 634.35187 236.8
[M+K]+ 655.28121 236.7
[M+H-H2O]+ 599.31531 221.9
[M+HCOO]- 661.31625 238.3
[M+CH3COO]- 675.33190 242.1
[M+Na-2H]- 637.29272 266.4
[M]+ 616.31750 252.2
[M]- 616.31860 252.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.