CID 10325914

Met-gln-cys-asn-ser

Structural Information

Molecular Formula
C20H35N7O9S2
SMILES
CSCC[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)O)N
InChI
InChI=1S/C20H35N7O9S2/c1-38-5-4-9(21)16(31)24-10(2-3-14(22)29)17(32)27-13(8-37)19(34)25-11(6-15(23)30)18(33)26-12(7-28)20(35)36/h9-13,28,37H,2-8,21H2,1H3,(H2,22,29)(H2,23,30)(H,24,31)(H,25,34)(H,26,33)(H,27,32)(H,35,36)/t9-,10-,11-,12-,13-/m0/s1
InChIKey
UUQPPOHFWMLIGT-VLJOUNFMSA-N
Compound name
(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

0
Patents

581.1938 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.20108 228.7
[M+Na]+ 604.18302 252.3
[M+NH4]+ 599.22762 241.7
[M+K]+ 620.15696 223.9
[M-H]- 580.18652 250.1
[M+Na-2H]- 602.16847 252.1
[M]+ 581.19325 239.2
[M]- 581.19435 239.2
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.