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Duazomycin

HCID 72622
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Basic information

CAS
2508-89-6
Standard SMILES
CC(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O
InChIKey
WBSWOKCKZUNHQV-ZETCQYMHSA-N
Molecular formula
C8H11N3O4
Average molar mass
213.19 g/mol
Monoisotopic mass
213.07495584

Names & identifiers

Preferred name
Duazomycin
IUPAC
(2S)-2-acetamido-6-diazo-5-oxohexanoic acid

Names & synonyms

DuazomycinDuazomycin ADiazomycin ADuazomycine2508-89-6DuazomicinaN-Acetyl-6-diazo-5-oxo-L-norleucineDuazomycinumL-Norleucine, N-acetyl-6-diazo-5-oxo-Norleucine, N-acetyl-6-diazo-5-oxo-, L-W9AO16Q1WXNSC-51097
Show more names
A-10270ADTXSID501318378RefChem:1084008DTXCID5017481891403-47-0(2S)-2-acetamido-6-diazo-5-oxohexanoic acidA 10270A(2S,6E)-2-acetamido-6-diazo-5-oxohexanoic acid

Database identifiers

CAS
2508-89-6
PubChem CID
72622
ChEMBL
CHEMBL3989508
UNII
W9AO16Q1WX
Nikkaji
J55.613K

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
85.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
320

Related reactions

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Compound notes

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