CID 484262

(2r)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-hydroxypropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]-5-guanidino-pentanamide

Structural Information

Molecular Formula
C37H76N20O7
SMILES
C(CCCNCC(=O)N(CCCN=C(N)N)CC(=O)N(CCCN=C(N)N)CC(=O)N(CCCO)CC(=O)N(CCCN=C(N)N)CC(=O)N[C@H](CCCN=C(N)N)C(=O)N)CCN
InChI
InChI=1S/C37H76N20O7/c38-11-3-1-2-4-12-48-22-29(60)55(18-7-15-51-36(44)45)24-31(62)56(19-8-16-52-37(46)47)26-32(63)57(20-9-21-58)25-30(61)54(17-6-14-50-35(42)43)23-28(59)53-27(33(39)64)10-5-13-49-34(40)41/h27,48,58H,1-26,38H2,(H2,39,64)(H,53,59)(H4,40,41,49)(H4,42,43,50)(H4,44,45,51)(H4,46,47,52)/t27-/m1/s1
InChIKey
AJVKSHYJWCUVHD-HHHXNRCGSA-N
Compound name
(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-(3-hydroxypropyl)amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

912.6206 Da
Monoisotopic Mass

-8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 913.62788 271.3
[M+Na]+ 935.60982 261.4
[M-H]- 911.61332 271.8
[M+NH4]+ 930.65442 270.3
[M+K]+ 951.58376 269.9
[M+H-H2O]+ 895.61786 251.4
[M+HCOO]- 957.61880 269.8
[M+CH3COO]- 971.63445 271.7
[M+Na-2H]- 933.59527 321.8
[M]+ 912.62005 297.7
[M]- 912.62115 297.7
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

No patent data available for this compound.