CID 484268

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

Structural Information

Molecular Formula
C38H78N20O6
SMILES
CCCCN(CC(=O)N(CCCN=C(N)N)CC(=O)N[C@H](CCCN=C(N)N)C(=O)N)C(=O)CN(CCCN=C(N)N)C(=O)CN(CCCN=C(N)N)C(=O)CNCCCCCCN
InChI
InChI=1S/C38H78N20O6/c1-2-3-19-57(26-31(61)55(20-9-16-51-36(43)44)24-29(59)54-28(34(40)64)12-8-15-50-35(41)42)33(63)27-58(22-11-18-53-38(47)48)32(62)25-56(21-10-17-52-37(45)46)30(60)23-49-14-7-5-4-6-13-39/h28,49H,2-27,39H2,1H3,(H2,40,64)(H,54,59)(H4,41,42,50)(H4,43,44,51)(H4,45,46,52)(H4,47,48,53)/t28-/m1/s1
InChIKey
IWMCAPMHVKRXAR-MUUNZHRXSA-N
Compound name
(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-butylamino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

910.6413 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 911.64858 275.8
[M+Na]+ 933.63052 266.6
[M-H]- 909.63402 276.5
[M+NH4]+ 928.67512 275.2
[M+K]+ 949.60446 274.4
[M+H-H2O]+ 893.63856 256.0
[M+HCOO]- 955.63950 274.6
[M+CH3COO]- 969.65515 276.4
[M+Na-2H]- 931.61597 326.4
[M]+ 910.64075 305.3
[M]- 910.64185 305.3
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.