CID 3088297

Glycinamide, l-alanyl-n-(2-mercaptoethyl)-, (2-2')-disulfide, bis(trifluoroacetate)

Structural Information

Molecular Formula
C14H28N6O4S2
SMILES
C[C@@H](C(=O)NCC(=O)NCCSSCCNC(=O)CNC(=O)[C@H](C)N)N
InChI
InChI=1S/C14H28N6O4S2/c1-9(15)13(23)19-7-11(21)17-3-5-25-26-6-4-18-12(22)8-20-14(24)10(2)16/h9-10H,3-8,15-16H2,1-2H3,(H,17,21)(H,18,22)(H,19,23)(H,20,24)/t9-,10-/m0/s1
InChIKey
GPIHNZVMJWZNTC-UWVGGRQHSA-N
Compound name
(2S)-2-amino-N-[2-[2-[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.16135 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16863 190.6
[M+Na]+ 431.15057 187.0
[M-H]- 407.15407 186.4
[M+NH4]+ 426.19517 197.7
[M+K]+ 447.12451 184.0
[M+H-H2O]+ 391.15861 180.2
[M+HCOO]- 453.15955 199.3
[M+CH3COO]- 467.17520 236.2
[M+Na-2H]- 429.13602 185.4
[M]+ 408.16080 188.5
[M]- 408.16190 188.5
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.