CID 155802282

Hoiamide d

Structural Information

Molecular Formula
C35H58N4O7S3
SMILES
CCC[C@@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)[C@H](CC1=NC(=CS1)C2=N[C@@](CS2)(C)C3=N[C@](CS3)(C)C(=O)N[C@@H]([C@@H](C)CC)[C@H]([C@@H](C)C(=O)O)O)OC)O)O
InChI
InChI=1S/C35H58N4O7S3/c1-11-13-19(4)27(40)21(6)28(41)20(5)24(46-10)14-25-36-23(15-47-25)30-38-35(9,17-48-30)33-39-34(8,16-49-33)32(45)37-26(18(3)12-2)29(42)22(7)31(43)44/h15,18-22,24,26-29,40-42H,11-14,16-17H2,1-10H3,(H,37,45)(H,43,44)/t18-,19+,20-,21-,22+,24-,26-,27-,28-,29-,34-,35+/m0/s1
InChIKey
QJJZOVMGNCPTJN-AODGVFFVSA-N
Compound name
(2R,3S,4S,5S)-4-[[(4R)-2-[(4R)-2-[2-[(2S,3R,4R,5S,6S,7R)-4,6-dihydroxy-2-methoxy-3,5,7-trimethyldecyl]-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazole-4-carbonyl]amino]-3-hydroxy-2,5-dimethylheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

742.34674 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 743.35402 248.4
[M+Na]+ 765.33596 240.7
[M-H]- 741.33946 246.1
[M+NH4]+ 760.38056 247.9
[M+K]+ 781.30990 242.6
[M+H-H2O]+ 725.34400 249.1
[M+HCOO]- 787.34494 234.6
[M+CH3COO]- 801.36059 274.5
[M+Na-2H]- 763.32141 234.1
[M]+ 742.34619 254.4
[M]- 742.34729 254.4
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.