CID 484277

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

Structural Information

Molecular Formula
C38H78N20O6
SMILES
CC(C)CN(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/c1-27(2)22-58(26-32(62)55(18-8-15-51-36(43)44)23-29(59)54-28(34(40)64)11-7-14-50-35(41)42)33(63)25-57(20-10-17-53-38(47)48)31(61)24-56(19-9-16-52-37(45)46)30(60)21-49-13-6-4-3-5-12-39/h27-28,49H,3-26,39H2,1-2H3,(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
BJFZONISMTXZLN-MUUNZHRXSA-N
Compound name
(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-(2-methylpropyl)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

910.6413 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 911.64858 278.8
[M+Na]+ 933.63052 269.4
[M-H]- 909.63402 280.0
[M+NH4]+ 928.67512 278.2
[M+K]+ 949.60446 276.8
[M+H-H2O]+ 893.63856 258.7
[M+HCOO]- 955.63950 277.6
[M+CH3COO]- 969.65515 279.2
[M+Na-2H]- 931.61597 329.5
[M]+ 910.64075 309.0
[M]- 910.64185 309.0
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.