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]+ 615.317676 242.8
[M+Na]+ 637.299618 236.5
[M-H]- 613.303124 251.6
[M+NH4]+ 632.344223 241.7
[M+K]+ 653.273558 236.3
[M+H-H2O]+ 597.307660 231.3
[M+HCOO]- 659.308601 255.5
[M+CH3COO]- 673.324251 267.2
[M+Na-2H]- 635.285066 237.5
[M]+ 614.30985142 241.1
[M]- 614.31094858 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

literature stripe

Patent stripe

No patent data available for this compound.