CID 506713

Benzyl n-[(1s)-1-[[(1s)-1-[(2s,4r)-4-benzyloxy-2-[[(1s)-1-formylpropyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]carbamate

Structural Information

Molecular Formula
C34H46N4O7
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C34H46N4O7/c1-6-26(19-39)35-31(40)28-17-27(44-20-24-13-9-7-10-14-24)18-38(28)33(42)30(23(4)5)36-32(41)29(22(2)3)37-34(43)45-21-25-15-11-8-12-16-25/h7-16,19,22-23,26-30H,6,17-18,20-21H2,1-5H3,(H,35,40)(H,36,41)(H,37,43)/t26-,27+,28-,29-,30-/m0/s1
InChIKey
OWYZZUHIVCKQNA-RULDIGERSA-N
Compound name
benzyl N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.3367 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.34398 250.2
[M+Na]+ 645.32592 243.6
[M-H]- 621.32942 255.9
[M+NH4]+ 640.37052 249.3
[M+K]+ 661.29986 244.5
[M+H-H2O]+ 605.33396 239.4
[M+HCOO]- 667.33490 262.2
[M+CH3COO]- 681.35055 272.9
[M+Na-2H]- 643.31137 238.8
[M]+ 622.33615 251.3
[M]- 622.33725 251.3
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.