CID 5289122

N2-[(benzyloxy)carbonyl]-n-[(3r)-1-{n-[(benzyloxy)carbonyl]-l-leucyl}-4-oxo-3-pyrrolidinyl]-l-leucinamide

Structural Information

Molecular Formula
C32H42N4O7
SMILES
CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27+/m0/s1
InChIKey
GXENQLUSOCKXDN-GMQQYTKMSA-N
Compound name
benzyl N-[(2S)-4-methyl-1-[(3R)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxopyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.30536 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.31264 242.9
[M+Na]+ 617.29458 237.5
[M-H]- 593.29808 248.9
[M+NH4]+ 612.33918 243.3
[M+K]+ 633.26852 238.0
[M+H-H2O]+ 577.30262 232.0
[M+HCOO]- 639.30356 256.5
[M+CH3COO]- 653.31921 266.0
[M+Na-2H]- 615.28003 233.3
[M]+ 594.30481 243.8
[M]- 594.30591 243.8
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.