CID 16728759

Cyclo[-(d-ala)-(d-arg)-arg-ala-gly-]

Structural Information

Molecular Formula
C20H37N11O5
SMILES
C[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)C)CCCN=C(N)N)CCCN=C(N)N
InChI
InChI=1S/C20H37N11O5/c1-10-15(33)27-9-14(32)28-11(2)16(34)30-13(6-4-8-26-20(23)24)18(36)31-12(17(35)29-10)5-3-7-25-19(21)22/h10-13H,3-9H2,1-2H3,(H,27,33)(H,28,32)(H,29,35)(H,30,34)(H,31,36)(H4,21,22,25)(H4,23,24,26)/t10-,11+,12-,13+/m0/s1
InChIKey
RCYGOUSBSDKKSF-QNWHQSFQSA-N
Compound name
2-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-8,14-dimethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

511.2979 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.30518 241.8
[M+Na]+ 534.28712 241.1
[M-H]- 510.29062 227.2
[M+NH4]+ 529.33172 237.6
[M+K]+ 550.26106 230.1
[M+H-H2O]+ 494.29516 214.9
[M+HCOO]- 556.29610 239.1
[M+CH3COO]- 570.31175 251.6
[M+Na-2H]- 532.27257 254.5
[M]+ 511.29735 249.0
[M]- 511.29845 249.0
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

No patent data available for this compound.