CID 86577790

N-[4-amino-1-[[4-amino-1-[[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]carbamoyl]butyl]carbamoyl]butyl]decanamide

Structural Information

Molecular Formula
C35H71N11O6
SMILES
CCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C35H71N11O6/c1-2-3-4-5-6-7-8-19-30(47)42-26(15-10-21-37)32(49)44-28(17-12-23-39)34(51)46-29(18-13-24-40)35(52)45-27(16-11-22-38)33(50)43-25(31(41)48)14-9-20-36/h25-29H,2-24,36-40H2,1H3,(H2,41,48)(H,42,47)(H,43,50)(H,44,49)(H,45,52)(H,46,51)
InChIKey
SRVCSEBZDSPHEH-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

741.5589 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 742.56618 268.1
[M+Na]+ 764.54812 264.6
[M-H]- 740.55162 267.6
[M+NH4]+ 759.59272 269.2
[M+K]+ 780.52206 267.2
[M+H-H2O]+ 724.55616 248.5
[M+HCOO]- 786.55710 269.5
[M+CH3COO]- 800.57275 316.4
[M+Na-2H]- 762.53357 310.1
[M]+ 741.55835 301.5
[M]- 741.55945 301.5
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.