CID 486818

Z-phe-psi[co n(oh)]-phe-pro-nh tbu

Structural Information

Molecular Formula
C35H42N4O6
SMILES
CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)N(C(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O
InChI
InChI=1S/C35H42N4O6/c1-35(2,3)37-31(40)29-20-13-21-38(29)33(42)30(23-26-16-9-5-10-17-26)39(44)32(41)28(22-25-14-7-4-8-15-25)36-34(43)45-24-27-18-11-6-12-19-27/h4-12,14-19,28-30,44H,13,20-24H2,1-3H3,(H,36,43)(H,37,40)/t28-,29+,30-/m0/s1
InChIKey
GBIDHNMHOBOYPC-JBOQNHBVSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-1-[(2R)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-hydroxyamino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

614.3104 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.31768 242.8
[M+Na]+ 637.29962 236.5
[M-H]- 613.30312 251.6
[M+NH4]+ 632.34422 241.7
[M+K]+ 653.27356 236.3
[M+H-H2O]+ 597.30766 231.3
[M+HCOO]- 659.30860 255.5
[M+CH3COO]- 673.32425 267.2
[M+Na-2H]- 635.28507 237.5
[M]+ 614.30985 241.1
[M]- 614.31095 241.1
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.