CID 118752974

Chembl3507695

Structural Information

Molecular Formula
C32H55N3O10
SMILES
CC(C)[C@@H](CC1=CC(=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N
InChI
InChI=1S/C32H55N3O10/c1-16(2)19(12-21(33)22(37)13-20(17(3)4)29(41)35-15-32(5,6)31(34)42)10-18-8-9-23(43-7)24(11-18)44-30-28(40)27(39)26(38)25(14-36)45-30/h8-9,11,16-17,19-22,25-28,30,36-40H,10,12-15,33H2,1-7H3,(H2,34,42)(H,35,41)/t19-,20-,21-,22-,25+,26+,27-,28+,30+/m0/s1
InChIKey
GFUHHAMXSRNVEH-OROYPVQVSA-N
Compound name
(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-8-methyl-2-propan-2-ylnonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

641.38873 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.39601 246.0
[M+Na]+ 664.37795 248.9
[M+NH4]+ 659.42255 248.4
[M+K]+ 680.35189 245.7
[M-H]- 640.38145 241.6
[M+Na-2H]- 662.36340 264.9
[M]+ 641.38818 246.6
[M]- 641.38928 246.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.