CID 483818

2-amino-n-[[(2r,3s,4r,5r,6r)-5-amino-6-[(1r,2r,3s,4r,6s)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methyl]-5-guanidino-pentanamide

Structural Information

Molecular Formula
C18H38N8O7
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CNC(=O)C(CCCN=C(N)N)N)O)O)N)O)O)N
InChI
InChI=1S/C18H38N8O7/c19-6(2-1-3-25-18(23)24)16(31)26-5-9-12(28)13(29)10(22)17(32-9)33-15-8(21)4-7(20)11(27)14(15)30/h6-15,17,27-30H,1-5,19-22H2,(H,26,31)(H4,23,24,25)/t6?,7-,8+,9-,10-,11+,12-,13-,14-,15-,17-/m1/s1
InChIKey
JPBLSVNUKDDJAB-LDBWGUNLSA-N
Compound name
2-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]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

478.28635 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.29363 213.4
[M+Na]+ 501.27557 212.5
[M-H]- 477.27907 207.2
[M+NH4]+ 496.32017 213.9
[M+K]+ 517.24951 219.3
[M+H-H2O]+ 461.28361 199.7
[M+HCOO]- 523.28455 215.8
[M+CH3COO]- 537.30020 261.5
[M+Na-2H]- 499.26102 250.7
[M]+ 478.28580 231.5
[M]- 478.28690 231.5
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.