CID 11677139

(2s)-2-amino-5-guanidino-n-[(1s)-4-guanidino-1-[[[(1s)-1-(1-naphthyl)ethyl]amino]methyl]butyl]pentanamide

Structural Information

Molecular Formula
C24H39N9O
SMILES
C[C@@H](C1=CC=CC2=CC=CC=C21)NC[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C24H39N9O/c1-16(19-11-4-8-17-7-2-3-10-20(17)19)32-15-18(9-5-13-30-23(26)27)33-22(34)21(25)12-6-14-31-24(28)29/h2-4,7-8,10-11,16,18,21,32H,5-6,9,12-15,25H2,1H3,(H,33,34)(H4,26,27,30)(H4,28,29,31)/t16-,18-,21-/m0/s1
InChIKey
RWRNTXJTNUGHSX-MDKPJZGXSA-N
Compound name
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]pentan-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.32776 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.33504 209.7
[M+Na]+ 492.31698 205.9
[M-H]- 468.32048 212.4
[M+NH4]+ 487.36158 215.4
[M+K]+ 508.29092 205.8
[M+H-H2O]+ 452.32502 198.7
[M+HCOO]- 514.32596 232.5
[M+CH3COO]- 528.34161 266.9
[M+Na-2H]- 490.30243 206.8
[M]+ 469.32721 202.3
[M]- 469.32831 202.3
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.