CID 476397

[s-(r*r*)]-benzamide, 2,2'-dithiobis[n-1-aminocarbamoyl-3-methylbutyl

Structural Information

Molecular Formula
C26H34N4O4S2
SMILES
CC(C)C[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)N[C@@H](CC(C)C)C(=O)N
InChI
InChI=1S/C26H34N4O4S2/c1-15(2)13-19(23(27)31)29-25(33)17-9-5-7-11-21(17)35-36-22-12-8-6-10-18(22)26(34)30-20(24(28)32)14-16(3)4/h5-12,15-16,19-20H,13-14H2,1-4H3,(H2,27,31)(H2,28,32)(H,29,33)(H,30,34)/t19-,20-/m0/s1
InChIKey
VXMGIILQPVIYCB-PMACEKPBSA-N
Compound name
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]phenyl]disulfanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

530.20215 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.20943 225.7
[M+Na]+ 553.19137 222.2
[M-H]- 529.19487 227.6
[M+NH4]+ 548.23597 228.4
[M+K]+ 569.16531 218.0
[M+H-H2O]+ 513.19941 215.7
[M+HCOO]- 575.20035 230.5
[M+CH3COO]- 589.21600 257.2
[M+Na-2H]- 551.17682 217.6
[M]+ 530.20160 225.5
[M]- 530.20270 225.5
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.