CID 6481502

Bdbm9714

Structural Information

Molecular Formula
C32H54N6O8
SMILES
CCCC(C(=O)C(=O)NCC(=O)N[C@@H](CC1CCCCC1)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)OCC(C)C
InChI
InChI=1S/C32H54N6O8/c1-6-11-22(27(40)30(43)34-17-25(39)35-23(28(33)41)16-21-12-8-7-9-13-21)36-29(42)24-14-10-15-38(24)31(44)26(20(4)5)37-32(45)46-18-19(2)3/h19-24,26H,6-18H2,1-5H3,(H2,33,41)(H,34,43)(H,35,39)(H,36,42)(H,37,45)/t22?,23-,24-,26-/m0/s1
InChIKey
ZDSSQGFLJDUTKU-JXXSUMLHSA-N
Compound name
2-methylpropyl N-[(2S)-1-[(2S)-2-[[1-[[2-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

650.4003 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.40758 240.1
[M+Na]+ 673.38952 261.7
[M-H]- 649.39302 258.6
[M+NH4]+ 668.43412 257.2
[M+K]+ 689.36346 252.9
[M+H-H2O]+ 633.39756 245.4
[M+HCOO]- 695.39850 228.6
[M+CH3COO]- 709.41415 284.3
[M+Na-2H]- 671.37497 279.8
[M]+ 650.39975 230.4
[M]- 650.40085 230.4
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.