CID 511140

L-prolinamide, n-(pyrazinylcarbonyl)-d-valyl-d-valyl-n-(1-formylpropyl)-4-(8-quinolinyloxy)-, (4r)-

Structural Information

Molecular Formula
C33H41N7O6
SMILES
CCC(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)OC3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C33H41N7O6/c1-6-22(18-41)37-31(43)25-15-23(46-26-11-7-9-21-10-8-12-36-29(21)26)17-40(25)33(45)28(20(4)5)39-32(44)27(19(2)3)38-30(42)24-16-34-13-14-35-24/h7-14,16,18-20,22-23,25,27-28H,6,15,17H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/t22?,23-,25+,27-,28-/m1/s1
InChIKey
DLXFAPVMXCYOAD-ITPAYOHASA-N
Compound name
N-[(2R)-3-methyl-1-[[(2R)-3-methyl-1-oxo-1-[(2S,4R)-2-(1-oxobutan-2-ylcarbamoyl)-4-quinolin-8-yloxypyrrolidin-1-yl]butan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

631.3118 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.31908 242.2
[M+Na]+ 654.30102 237.7
[M-H]- 630.30452 246.3
[M+NH4]+ 649.34562 238.0
[M+K]+ 670.27496 237.4
[M+H-H2O]+ 614.30906 230.6
[M+HCOO]- 676.31000 250.2
[M+CH3COO]- 690.32565 275.5
[M+Na-2H]- 652.28647 235.7
[M]+ 631.31125 242.6
[M]- 631.31235 242.6
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.