CID 506759

L-prolinamide, n-(pyrazinylcarbonyl)-l-histidyl-l-valyl-n-[(1s)-1-formylpropyl]-4-(phenylmethoxy)-, (4r)-

Structural Information

Molecular Formula
C32H40N8O6
SMILES
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)C3=NC=CN=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C32H40N8O6/c1-4-22(17-41)37-31(44)27-13-24(46-18-21-8-6-5-7-9-21)16-40(27)32(45)28(20(2)3)39-29(42)25(12-23-14-34-19-36-23)38-30(43)26-15-33-10-11-35-26/h5-11,14-15,17,19-20,22,24-25,27-28H,4,12-13,16,18H2,1-3H3,(H,34,36)(H,37,44)(H,38,43)(H,39,42)/t22-,24+,25-,27-,28-/m0/s1
InChIKey
FKLRMPVTWJSUEJ-DPNOZYSCSA-N
Compound name
N-[(2S)-3-(1H-imidazol-5-yl)-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-oxopropan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.30707 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.31435 236.2
[M+Na]+ 655.29629 230.5
[M-H]- 631.29979 241.4
[M+NH4]+ 650.34089 230.6
[M+K]+ 671.27023 229.6
[M+H-H2O]+ 615.30433 224.1
[M+HCOO]- 677.30527 245.6
[M+CH3COO]- 691.32092 268.8
[M+Na-2H]- 653.28174 229.0
[M]+ 632.30652 234.8
[M]- 632.30762 234.8
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.