CID 6481501

Bdbm9713

Structural Information

Molecular Formula
C29H50N6O8
SMILES
CCCC(C(=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OCC(C)C
InChI
InChI=1S/C29H50N6O8/c1-8-10-19(24(37)27(40)31-14-22(36)32-20(25(30)38)13-16(2)3)33-26(39)21-11-9-12-35(21)28(41)23(18(6)7)34-29(42)43-15-17(4)5/h16-21,23H,8-15H2,1-7H3,(H2,30,38)(H,31,40)(H,32,36)(H,33,39)(H,34,42)/t19?,20-,21-,23-/m0/s1
InChIKey
GWYOCLYFZNGOOY-AZJXCBEJSA-N
Compound name
2-methylpropyl N-[(2S)-1-[(2S)-2-[[1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-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 232.8
[M+Na]+ 633.35822 253.6
[M-H]- 609.36172 252.3
[M+NH4]+ 628.40282 251.4
[M+K]+ 649.33216 247.1
[M+H-H2O]+ 593.36626 237.4
[M+HCOO]- 655.36720 214.3
[M+CH3COO]- 669.38285 278.7
[M+Na-2H]- 631.34367 227.6
[M]+ 610.36845 223.8
[M]- 610.36955 223.8
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.