CID 197672

Bb87 collagenase inhibitor

Structural Information

Molecular Formula
C23H30N4O4
SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2=CN=CC=C2
InChI
InChI=1S/C23H30N4O4/c1-16(2)11-19(13-21(28)27-31)22(29)26-20(12-17-7-4-3-5-8-17)23(30)25-15-18-9-6-10-24-14-18/h3-10,14,16,19-20,31H,11-13,15H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)/t19-,20+/m1/s1
InChIKey
NLZAWJFCYBNYPE-UXHICEINSA-N
Compound name
(2R)-N'-hydroxy-2-(2-methylpropyl)-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.2267 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.23398 203.7
[M+Na]+ 449.21592 209.0
[M+NH4]+ 444.26052 206.0
[M+K]+ 465.18986 206.1
[M-H]- 425.21942 204.7
[M+Na-2H]- 447.20137 206.9
[M]+ 426.22615 203.9
[M]- 426.22725 203.9
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.