CID 3010522

Z-pyroglutamic acid-arg(no2)-pro-och3

Structural Information

Molecular Formula
C17H26N6O8
SMILES
COC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)[N+](=O)[O-])NOC(=O)[C@@H]2CCC(=O)N2
InChI
InChI=1S/C17H26N6O8/c1-30-16(27)12-5-3-9-22(12)14(25)10(4-2-8-19-17(18)23(28)29)21-31-15(26)11-6-7-13(24)20-11/h10-12,21H,2-9H2,1H3,(H2,18,19)(H,20,24)/t10-,11-,12-/m0/s1
InChIKey
GKWLMGZKKSJZPS-SRVKXCTJSA-N
Compound name
[[(2S)-5-[[amino(nitro)methylidene]amino]-1-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino] (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.1812 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.18848 194.7
[M+Na]+ 465.17042 191.5
[M-H]- 441.17392 197.3
[M+NH4]+ 460.21502 201.1
[M+K]+ 481.14436 188.6
[M+H-H2O]+ 425.17846 190.1
[M+HCOO]- 487.17940 211.7
[M+CH3COO]- 501.19505 225.0
[M+Na-2H]- 463.15587 192.1
[M]+ 442.18065 188.7
[M]- 442.18175 188.7
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.