CID 7021411

Gly-leu-met-nh2

Structural Information

Molecular Formula
C13H26N4O3S
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CN
InChI
InChI=1S/C13H26N4O3S/c1-8(2)6-10(16-11(18)7-14)13(20)17-9(12(15)19)4-5-21-3/h8-10H,4-7,14H2,1-3H3,(H2,15,19)(H,16,18)(H,17,20)/t9-,10-/m0/s1
InChIKey
RLXSTJVYBMNHEP-UWVGGRQHSA-N
Compound name
(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

71
Patents

318.17258 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.179856 179.2
[M+Na]+ 341.161798 178.7
[M-H]- 317.165304 176.8
[M+NH4]+ 336.206403 191.2
[M+K]+ 357.135738 177.7
[M+H-H2O]+ 301.169840 170.8
[M+HCOO]- 363.170781 192.6
[M+CH3COO]- 377.186431 218.6
[M+Na-2H]- 339.147246 172.3
[M]+ 318.17203142 177.6
[M]- 318.17312858 177.6
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

patents stripe