CID 484274

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

Structural Information

Molecular Formula
C37H76N20O7
SMILES
COCCN(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/C37H76N20O7/c1-64-21-20-57(26-30(60)54(17-7-14-50-35(42)43)23-28(58)53-27(33(39)63)10-6-13-49-34(40)41)32(62)25-56(19-9-16-52-37(46)47)31(61)24-55(18-8-15-51-36(44)45)29(59)22-48-12-5-3-2-4-11-38/h27,48H,2-26,38H2,1H3,(H2,39,63)(H,53,58)(H4,40,41,49)(H4,42,43,50)(H4,44,45,51)(H4,46,47,52)/t27-/m1/s1
InChIKey
ZMTYFGCWVSAADA-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-methoxyethyl)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

-7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 913.62788 273.8
[M+Na]+ 935.60982 264.1
[M-H]- 911.61332 274.4
[M+NH4]+ 930.65442 272.9
[M+K]+ 951.58376 272.1
[M+H-H2O]+ 895.61786 253.9
[M+HCOO]- 957.61880 272.4
[M+CH3COO]- 971.63445 274.2
[M+Na-2H]- 933.59527 324.2
[M]+ 912.62005 301.3
[M]- 912.62115 301.3
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.