CID 484248

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

Structural Information

Molecular Formula
C37H77N21O6
SMILES
C(CCCNCC(=O)N(CCCN=C(N)N)CC(=O)N(CCCN=C(N)N)CC(=O)N(CCCN)CC(=O)N(CCCN=C(N)N)CC(=O)N[C@H](CCCN=C(N)N)C(=O)N)CCN
InChI
InChI=1S/C37H77N21O6/c38-11-3-1-2-4-13-49-22-29(60)56(20-8-16-52-36(45)46)24-31(62)58(21-9-17-53-37(47)48)26-32(63)57(18-6-12-39)25-30(61)55(19-7-15-51-35(43)44)23-28(59)54-27(33(40)64)10-5-14-50-34(41)42/h27,49H,1-26,38-39H2,(H2,40,64)(H,54,59)(H4,41,42,50)(H4,43,44,51)(H4,45,46,52)(H4,47,48,53)/t27-/m1/s1
InChIKey
FCYIPLVRAXZNOX-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-aminopropyl)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

911.6366 Da
Monoisotopic Mass

-8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 912.64388 268.3
[M+Na]+ 934.62582 258.5
[M-H]- 910.62932 268.6
[M+NH4]+ 929.67042 267.4
[M+K]+ 950.59976 267.5
[M+H-H2O]+ 894.63386 248.7
[M+HCOO]- 956.63480 266.8
[M+CH3COO]- 970.65045 268.7
[M+Na-2H]- 932.61127 319.2
[M]+ 911.63605 295.0
[M]- 911.63715 295.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.