CID 506689

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

Structural Information

Molecular Formula
C32H43N7O6
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)C2=NC=CN=C2)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C32H43N7O6/c1-6-22(18-40)36-30(43)25-15-23(35-26(41)14-21-10-8-7-9-11-21)17-39(25)32(45)28(20(4)5)38-31(44)27(19(2)3)37-29(42)24-16-33-12-13-34-24/h7-13,16,18-20,22-23,25,27-28H,6,14-15,17H2,1-5H3,(H,35,41)(H,36,43)(H,37,42)(H,38,44)/t22-,23+,25-,27-,28-/m0/s1
InChIKey
HOGGKKZHPIKYAB-CGACGQNGSA-N
Compound name
N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]-4-[(2-phenylacetyl)amino]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.32745 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.33473 243.5
[M+Na]+ 644.31667 237.2
[M-H]- 620.32017 247.9
[M+NH4]+ 639.36127 239.9
[M+K]+ 660.29061 238.1
[M+H-H2O]+ 604.32471 232.3
[M+HCOO]- 666.32565 254.2
[M+CH3COO]- 680.34130 275.9
[M+Na-2H]- 642.30212 234.4
[M]+ 621.32690 242.1
[M]- 621.32800 242.1
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.