CID 156582747

Nostopyrrolidonamide

Structural Information

Molecular Formula
C36H49N3O5
SMILES
CCCCCCCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2[C@H](C(=CC2=O)OC)CC3=CC=CC=C3
InChI
InChI=1S/C36H49N3O5/c1-6-7-8-9-16-21-33(40)38(4)31(22-26(2)3)35(42)37-29(23-27-17-12-10-13-18-27)36(43)39-30(32(44-5)25-34(39)41)24-28-19-14-11-15-20-28/h10-15,17-20,25-26,29-31H,6-9,16,21-24H2,1-5H3,(H,37,42)/t29-,30-,31-/m0/s1
InChIKey
YKCBSSSCFQKZEX-CHQNGUEUSA-N
Compound name
N-[(2S)-1-[[(2S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methyloctanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.36725 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.37453 254.8
[M+Na]+ 626.35647 251.2
[M-H]- 602.35997 262.0
[M+NH4]+ 621.40107 256.3
[M+K]+ 642.33041 248.9
[M+H-H2O]+ 586.36451 243.1
[M+HCOO]- 648.36545 269.2
[M+CH3COO]- 662.38110 271.9
[M+Na-2H]- 624.34192 243.0
[M]+ 603.36670 260.0
[M]- 603.36780 260.0
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.