CID 6481499

Bdbm9711

Structural Information

Molecular Formula
C29H50N6O8
SMILES
CCCC(C(=O)C(=O)NCC(=O)N[C@H](C(=O)N)C(C)(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OCC(C)C
InChI
InChI=1S/C29H50N6O8/c1-9-11-18(22(37)26(40)31-14-20(36)33-23(24(30)38)29(6,7)8)32-25(39)19-12-10-13-35(19)27(41)21(17(4)5)34-28(42)43-15-16(2)3/h16-19,21,23H,9-15H2,1-8H3,(H2,30,38)(H,31,40)(H,32,39)(H,33,36)(H,34,42)/t18?,19-,21-,23+/m0/s1
InChIKey
BHQWWTFTOGAXFO-RAYMSVHGSA-N
Compound name
2-methylpropyl N-[(2S)-1-[(2S)-2-[[1-[[2-[[(2S)-1-amino-3,3-dimethyl-1-oxobutan-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

610.369 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.37628 226.6
[M+Na]+ 633.35822 246.9
[M-H]- 609.36172 247.5
[M+NH4]+ 628.40282 245.2
[M+K]+ 649.33216 241.1
[M+H-H2O]+ 593.36626 229.1
[M+HCOO]- 655.36720 211.4
[M+CH3COO]- 669.38285 277.4
[M+Na-2H]- 631.34367 221.6
[M]+ 610.36845 219.2
[M]- 610.36955 219.2
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.