CID 506690

L-prolinamide, n-(pyrazinylcarbonyl)-l-valyl-l-valyl-4-[(1,2-dioxo-2-phenylethyl)amino]-n-[(1s)-1-formylpropyl]-, (4r)-

Structural Information

Molecular Formula
C32H41N7O7
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)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C32H41N7O7/c1-6-21(17-40)35-29(43)24-14-22(36-31(45)27(41)20-10-8-7-9-11-20)16-39(24)32(46)26(19(4)5)38-30(44)25(18(2)3)37-28(42)23-15-33-12-13-34-23/h7-13,15,17-19,21-22,24-26H,6,14,16H2,1-5H3,(H,35,43)(H,36,45)(H,37,42)(H,38,44)/t21-,22+,24-,25-,26-/m0/s1
InChIKey
LVRMZZVZVZRKJW-KIRBFPCPSA-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-oxo-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

635.30676 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.31404 242.8
[M+Na]+ 658.29598 236.2
[M-H]- 634.29948 247.4
[M+NH4]+ 653.34058 238.4
[M+K]+ 674.26992 238.3
[M+H-H2O]+ 618.30402 232.0
[M+HCOO]- 680.30496 252.9
[M+CH3COO]- 694.32061 278.4
[M+Na-2H]- 656.28143 233.3
[M]+ 635.30621 241.5
[M]- 635.30731 241.5
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.