CID 5271856

L-prolinamide, n-(pyrazinylcarbonyl)-d-valyl-d-valyl-n-(1-ethyl-2,3-dioxobutyl)-4-(phenylmethoxy)-, (4r)-

Structural Information

Molecular Formula
C33H44N6O7
SMILES
CCC(C(=O)C(=O)C)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)OCC3=CC=CC=C3
InChI
InChI=1S/C33H44N6O7/c1-7-24(29(41)21(6)40)36-31(43)26-15-23(46-18-22-11-9-8-10-12-22)17-39(26)33(45)28(20(4)5)38-32(44)27(19(2)3)37-30(42)25-16-34-13-14-35-25/h8-14,16,19-20,23-24,26-28H,7,15,17-18H2,1-6H3,(H,36,43)(H,37,42)(H,38,44)/t23-,24?,26+,27-,28-/m1/s1
InChIKey
VLPCQYPTNDPWOQ-HPOFYJPCSA-N
Compound name
N-[(2R)-1-[[(2R)-1-[(2S,4R)-2-(4,5-dioxohexan-3-ylcarbamoyl)-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

636.32715 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.33443 244.6
[M+Na]+ 659.31637 238.2
[M-H]- 635.31987 248.8
[M+NH4]+ 654.36097 240.5
[M+K]+ 675.29031 240.1
[M+H-H2O]+ 619.32441 233.9
[M+HCOO]- 681.32535 253.2
[M+CH3COO]- 695.34100 276.8
[M+Na-2H]- 657.30182 233.6
[M]+ 636.32660 245.1
[M]- 636.32770 245.1
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.