CID 5276597

(2s)-2-[[(1s)-1-[(3as,6ar)-4-(cyclopropanecarbonyl)-5-oxo-spiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,1'-cyclobutane]-1-carbonyl]-2-methyl-propyl]carbamoylamino]-n,n,3-trimethyl-butanamide

Structural Information

Molecular Formula
C26H41N5O5
SMILES
CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H]1C3(CCC3)C(=O)N2C(=O)C4CC4)NC(=O)N[C@@H](C(C)C)C(=O)N(C)C
InChI
InChI=1S/C26H41N5O5/c1-14(2)18(22(33)29(5)6)27-25(36)28-19(15(3)4)23(34)30-13-10-17-20(30)26(11-7-12-26)24(35)31(17)21(32)16-8-9-16/h14-20H,7-13H2,1-6H3,(H2,27,28,36)/t17-,18-,19-,20-/m0/s1
InChIKey
HYUQURSGAQJEMK-MUGJNUQGSA-N
Compound name
(2S)-2-[[(2S)-1-[(3aS,6aR)-4-(cyclopropanecarbonyl)-5-oxospiro[2,3,3a,6a-tetrahydropyrrolo[3,2-b]pyrrole-6,1'-cyclobutane]-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-N,N,3-trimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.31076 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.31804 228.4
[M+Na]+ 526.29998 225.0
[M-H]- 502.30348 234.5
[M+NH4]+ 521.34458 227.2
[M+K]+ 542.27392 227.1
[M+H-H2O]+ 486.30802 218.2
[M+HCOO]- 548.30896 236.3
[M+CH3COO]- 562.32461 255.7
[M+Na-2H]- 524.28543 216.3
[M]+ 503.31021 237.1
[M]- 503.31131 237.1
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.