CID 16129319

Hexapeptide-9

Structural Information

Molecular Formula
C24H38N8O9
SMILES
C1C[C@H](N(C1)C(=O)CN)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C24H38N8O9/c25-11-19(35)31-9-1-3-15(31)22(38)29-13(5-7-17(26)33)21(37)28-12-20(36)32-10-2-4-16(32)23(39)30-14(24(40)41)6-8-18(27)34/h13-16H,1-12,25H2,(H2,26,33)(H2,27,34)(H,28,37)(H,29,38)(H,30,39)(H,40,41)/t13-,14-,15-,16-/m0/s1
InChIKey
OGNHOGPWQTWKGQ-VGWMRTNUSA-N
Compound name
(2S)-5-amino-2-[[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1060
Patents

582.2762 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.28348 230.8
[M+Na]+ 605.26542 228.1
[M-H]- 581.26892 229.4
[M+NH4]+ 600.31002 231.3
[M+K]+ 621.23936 232.2
[M+H-H2O]+ 565.27346 209.8
[M+HCOO]- 627.27440 232.6
[M+CH3COO]- 641.29005 269.7
[M+Na-2H]- 603.25087 253.0
[M]+ 582.27565 254.7
[M]- 582.27675 254.7
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