CID 511137

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

Structural Information

Molecular Formula
C30H40N6O6
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=CC=C3
InChI
InChI=1S/C30H40N6O6/c1-6-20(17-37)33-28(39)24-14-22(42-21-10-8-7-9-11-21)16-36(24)30(41)26(19(4)5)35-29(40)25(18(2)3)34-27(38)23-15-31-12-13-32-23/h7-13,15,17-20,22,24-26H,6,14,16H2,1-5H3,(H,33,39)(H,34,38)(H,35,40)/t20?,22-,24+,25-,26-/m1/s1
InChIKey
NVAZMCXPFVMSAB-JROICFCCSA-N
Compound name
N-[(2R)-3-methyl-1-[[(2R)-3-methyl-1-oxo-1-[(2S,4R)-2-(1-oxobutan-2-ylcarbamoyl)-4-phenoxypyrrolidin-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

580.3009 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.30818 234.6
[M+Na]+ 603.29012 230.0
[M-H]- 579.29362 239.1
[M+NH4]+ 598.33472 233.0
[M+K]+ 619.26406 230.3
[M+H-H2O]+ 563.29816 223.3
[M+HCOO]- 625.29910 245.6
[M+CH3COO]- 639.31475 265.4
[M+Na-2H]- 601.27557 226.0
[M]+ 580.30035 234.4
[M]- 580.30145 234.4
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.