CID 10370504

230961-08-7

Structural Information

Molecular Formula
C34H43N3O4
SMILES
CC1=C(C=CC(=C1)CCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N[C@H](C)C2=CC=CC=C2)C(C)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1
InChIKey
JJHRUUKMPWUYIB-HVOSOHGQSA-N
Compound name
(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]-N'-hydroxy-2-[3-(3-methyl-4-phenylphenyl)propyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

15
Patents

557.3254 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.33268 240.0
[M+Na]+ 580.31462 236.5
[M-H]- 556.31812 245.9
[M+NH4]+ 575.35922 241.3
[M+K]+ 596.28856 233.6
[M+H-H2O]+ 540.32266 229.0
[M+HCOO]- 602.32360 254.0
[M+CH3COO]- 616.33925 261.3
[M+Na-2H]- 578.30007 234.8
[M]+ 557.32485 239.2
[M]- 557.32595 239.2
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

patents stripe