CID 6481510

Bdbm9724

Structural Information

Molecular Formula
C32H56N6O8
SMILES
CCCC(C(=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)C
InChI
InChI=1S/C32H56N6O8/c1-8-12-22(27(40)31(44)34-16-24(39)37-25(20(6)7)28(33)41)35-29(42)23(15-18(2)3)36-30(43)26(21-13-10-9-11-14-21)38-32(45)46-17-19(4)5/h18-23,25-26H,8-17H2,1-7H3,(H2,33,41)(H,34,44)(H,35,42)(H,36,43)(H,37,39)(H,38,45)/t22?,23-,25-,26-/m0/s1
InChIKey
HCSNCGDKWJLMMB-UASABWJQSA-N
Compound name
2-methylpropyl N-[(1S)-2-[[(2S)-1-[[1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-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

652.41595 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.42323 235.6
[M+Na]+ 675.40517 254.7
[M-H]- 651.40867 256.4
[M+NH4]+ 670.44977 253.1
[M+K]+ 691.37911 250.2
[M+H-H2O]+ 635.41321 239.2
[M+HCOO]- 697.41415 213.0
[M+CH3COO]- 711.42980 290.0
[M+Na-2H]- 673.39062 290.6
[M]+ 652.41540 223.9
[M]- 652.41650 223.9
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.