CID 497876

Fkkr-nh2

Structural Information

Molecular Formula
C27H48N10O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N
InChI
InChI=1S/C27H48N10O4/c28-14-6-4-11-21(36-24(39)19(30)17-18-9-2-1-3-10-18)26(41)37-22(12-5-7-15-29)25(40)35-20(23(31)38)13-8-16-34-27(32)33/h1-3,9-10,19-22H,4-8,11-17,28-30H2,(H2,31,38)(H,35,40)(H,36,39)(H,37,41)(H4,32,33,34)/t19-,20-,21-,22-/m0/s1
InChIKey
XJHAHHQDQSMUDE-CMOCDZPBSA-N
Compound name
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

576.386 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.39328 241.1
[M+Na]+ 599.37522 241.0
[M-H]- 575.37872 240.6
[M+NH4]+ 594.41982 243.6
[M+K]+ 615.34916 243.1
[M+H-H2O]+ 559.38326 221.7
[M+HCOO]- 621.38420 244.6
[M+CH3COO]- 635.39985 286.1
[M+Na-2H]- 597.36067 280.8
[M]+ 576.38545 279.8
[M]- 576.38655 279.8
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.