CID 511138

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

Structural Information

Molecular Formula
C34H42N6O6
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=CC=CC=C43
InChI
InChI=1S/C34H42N6O6/c1-6-23(19-41)37-32(43)27-16-24(46-28-13-9-11-22-10-7-8-12-25(22)28)18-40(27)34(45)30(21(4)5)39-33(44)29(20(2)3)38-31(42)26-17-35-14-15-36-26/h7-15,17,19-21,23-24,27,29-30H,6,16,18H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/t23?,24-,27+,29-,30-/m1/s1
InChIKey
OOUKPFDXESLHRU-RVOCERDHSA-N
Compound name
N-[(2R)-3-methyl-1-[[(2R)-3-methyl-1-[(2S,4R)-4-naphthalen-1-yloxy-2-(1-oxobutan-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

630.3166 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.32388 244.9
[M+Na]+ 653.30582 239.9
[M-H]- 629.30932 249.8
[M+NH4]+ 648.35042 241.9
[M+K]+ 669.27976 239.7
[M+H-H2O]+ 613.31386 233.6
[M+HCOO]- 675.31480 253.7
[M+CH3COO]- 689.33045 275.9
[M+Na-2H]- 651.29127 237.2
[M]+ 630.31605 245.0
[M]- 630.31715 245.0
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.