CID 506691

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

Structural Information

Molecular Formula
C30H41N7O7S
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)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C30H41N7O7S/c1-6-20(17-38)33-28(40)24-14-21(36-45(43,44)22-10-8-7-9-11-22)16-37(24)30(42)26(19(4)5)35-29(41)25(18(2)3)34-27(39)23-15-31-12-13-32-23/h7-13,15,17-21,24-26,36H,6,14,16H2,1-5H3,(H,33,40)(H,34,39)(H,35,41)/t20-,21+,24-,25-,26-/m0/s1
InChIKey
RCNPBBZTJDTQTR-ZLPRUYCRSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[(2S,4R)-4-(benzenesulfonamido)-2-[[(2S)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-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

0
References

0
Patents

643.2788 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.28608 241.8
[M+Na]+ 666.26802 236.1
[M-H]- 642.27152 246.1
[M+NH4]+ 661.31262 237.8
[M+K]+ 682.24196 236.8
[M+H-H2O]+ 626.27606 232.2
[M+HCOO]- 688.27700 247.8
[M+CH3COO]- 702.29265 275.1
[M+Na-2H]- 664.25347 237.0
[M]+ 643.27825 242.7
[M]- 643.27935 242.7
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.