CID 3010521

Z-pglu-arg(no2)-pro

Structural Information

Molecular Formula
C16H24N6O8
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)[N+](=O)[O-])NOC(=O)[C@@H]2CCC(=O)N2)C(=O)O
InChI
InChI=1S/C16H24N6O8/c17-16(22(28)29)18-7-1-3-9(13(24)21-8-2-4-11(21)14(25)26)20-30-15(27)10-5-6-12(23)19-10/h9-11,20H,1-8H2,(H2,17,18)(H,19,23)(H,25,26)/t9-,10-,11-/m0/s1
InChIKey
KLRXNVWJBXOBEH-DCAQKATOSA-N
Compound name
(2S)-1-[(2S)-5-[[amino(nitro)methylidene]amino]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]oxyamino]pentanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.16556 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.17284 189.4
[M+Na]+ 451.15478 186.1
[M-H]- 427.15828 190.8
[M+NH4]+ 446.19938 195.6
[M+K]+ 467.12872 182.8
[M+H-H2O]+ 411.16282 185.1
[M+HCOO]- 473.16376 205.3
[M+CH3COO]- 487.17941 220.7
[M+Na-2H]- 449.14023 187.0
[M]+ 428.16501 181.4
[M]- 428.16611 181.4
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.