CID 484256

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

Structural Information

Molecular Formula
C37H73N21O6
SMILES
C(CCCNCC(=O)N(CCCN=C(N)N)CC(=O)N(CCCN=C(N)N)CC(=O)N(CCC#N)CC(=O)N(CCCN=C(N)N)CC(=O)N[C@H](CCCN=C(N)N)C(=O)N)CCN
InChI
InChI=1S/C37H73N21O6/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,1-11,13-26,38H2,(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
INPAROBLDMMEPF-HHHXNRCGSA-N
Compound name
(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-[3-(diaminomethylideneamino)propyl]amino]acetyl]-(2-cyanoethyl)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

907.6053 Da
Monoisotopic Mass

-8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 908.61258 282.6
[M+Na]+ 930.59452 273.1
[M-H]- 906.59802 278.3
[M+NH4]+ 925.63912 280.3
[M+K]+ 946.56846 279.8
[M+H-H2O]+ 890.60256 263.5
[M+HCOO]- 952.60350 279.7
[M+CH3COO]- 966.61915 281.2
[M+Na-2H]- 928.57997 326.0
[M]+ 907.60475 306.2
[M]- 907.60585 306.2
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.