CID 169501834

(2s,3s)-2-(n-((2'-(2h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-4-hydroxy-3-methylbutanoic acid

Structural Information

Molecular Formula
C24H29N5O4
SMILES
CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H]([C@H](C)CO)C(=O)O
InChI
InChI=1S/C24H29N5O4/c1-3-4-9-21(31)29(22(24(32)33)16(2)15-30)14-17-10-12-18(13-11-17)19-7-5-6-8-20(19)23-25-27-28-26-23/h5-8,10-13,16,22,30H,3-4,9,14-15H2,1-2H3,(H,32,33)(H,25,26,27,28)/t16-,22+/m1/s1
InChIKey
DCUPAPDDTRLAGI-ZHRRBRCNSA-N
Compound name
(2S,3S)-4-hydroxy-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

451.22195 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.22923 206.7
[M+Na]+ 474.21117 208.2
[M-H]- 450.21467 208.5
[M+NH4]+ 469.25577 208.9
[M+K]+ 490.18511 203.9
[M+H-H2O]+ 434.21921 195.1
[M+HCOO]- 496.22015 218.8
[M+CH3COO]- 510.23580 231.4
[M+Na-2H]- 472.19662 203.3
[M]+ 451.22140 207.0
[M]- 451.22250 207.0
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.