CID 6481511

Bdbm9725

Structural Information

Molecular Formula
C33H58N6O8
SMILES
CCCC[C@@H](C(=O)N)NC(=O)CNC(=O)C(=O)C(CCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)C
InChI
InChI=1S/C33H58N6O8/c1-7-9-16-24(29(34)42)36-26(40)18-35-32(45)28(41)23(13-8-2)37-30(43)25(17-20(3)4)38-31(44)27(22-14-11-10-12-15-22)39-33(46)47-19-21(5)6/h20-25,27H,7-19H2,1-6H3,(H2,34,42)(H,35,45)(H,36,40)(H,37,43)(H,38,44)(H,39,46)/t23?,24-,25-,27-/m0/s1
InChIKey
AMZVJVVJPNSWAD-LYHPAYDUSA-N
Compound name
2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

666.43164 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.43892 241.3
[M+Na]+ 689.42086 260.0
[M-H]- 665.42436 260.7
[M+NH4]+ 684.46546 257.4
[M+K]+ 705.39480 255.2
[M+H-H2O]+ 649.42890 244.3
[M+HCOO]- 711.42984 220.5
[M+CH3COO]- 725.44549 291.8
[M+Na-2H]- 687.40631 235.2
[M]+ 666.43109 229.3
[M]- 666.43219 229.3
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.