CID 86278325

Albenatide

Structural Information

Molecular Formula
C26H47N7O9S
SMILES
C1C(C(=O)N(C1=O)CCC(=O)NCCOCCOCC(=O)NCCCCNCCCC[C@@H](C(=O)N)N)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C26H47N7O9S/c27-18(24(29)37)5-1-2-7-30-8-3-4-9-31-22(35)16-42-14-13-41-12-10-32-21(34)6-11-33-23(36)15-20(25(33)38)43-17-19(28)26(39)40/h18-20,30H,1-17,27-28H2,(H2,29,37)(H,31,35)(H,32,34)(H,39,40)/t18-,19-,20?/m0/s1
InChIKey
MSFZPBXAGPYVFD-NFBCFJMWSA-N
Compound name
(2R)-2-amino-3-[1-[3-[2-[2-[2-[4-[[(5S)-5,6-diamino-6-oxohexyl]amino]butylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2503
Patents

633.3156 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.32288 249.4
[M+Na]+ 656.30482 267.5
[M+NH4]+ 651.34942 256.3
[M+K]+ 672.27876 261.3
[M-H]- 632.30832 261.0
[M+Na-2H]- 654.29027 258.3
[M]+ 633.31505 255.9
[M]- 633.31615 255.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe