N-{2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]-6-diazo-1-hydroxy-5-oxohexylidene}-6-diazo-5-oxonorleucine
Basic information
- CAS
7644-67-9- Standard SMILES
[N-]=[N+]=CC(=O)CCC(NC(=O)C(CCC(=O)C=[N+]=[N-])NC(=O)CCC(N)C(=O)O)C(=O)O- InChIKey
MNHVIVWFCMBFCV-UHFFFAOYSA-N- Molecular formula
- C17H23N7O8
- Average molar mass
- 453.4 g/mol
- Monoisotopic mass
- 453.16081072
Overview
See also: Azotomycin (annotation moved to).
Names & identifiers
- Preferred name
- N-{2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]-6-diazo-1-hydroxy-5-oxohexylidene}-6-diazo-5-oxonorleucine
- IUPAC
- 2-[[2-[(4-amino-4-carboxybutanoyl)amino]-6-diazo-5-oxohexanoyl]amino]-6-diazo-5-oxohexanoic acid
- English name
- Diazomycin B
- Molecular formula
- C17H23N7O8
- Molecular weight
- 453.41
Names & synonyms
CHEMBL2068745DTXSID70997832N-{2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]-6-diazo-1-hydroxy-5-oxohexylidene}-6-diazo-5-oxonorleucineAzotomycinNSC-56654DuazomycinBDiazomycin BAntibiotic-1719Azotomycin sodium saltDiazomycin B USP/EP/BPAntibiotic produced by streptomyces ambofaciens6-Diazo-N-(6-diazo-N-L-γ-glutamyl-5-oxo-L-norleucyl)-5-oxo-L-norleucine
Database identifiers
- CAS
7644-67-9- PubChem CID
- 4366395
- DTXSID
DTXSID70997832- ChEMBL
CHEMBL2068745
Properties
Computed structural properties
- XLogP
- -4.7
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 846
Physicochemical properties
- Boiling point
- 560.56 °C · 560.56°C (rough estimate)
- Density
- 1.2516 · 1.2516 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- FDA UNII
- 6 TQY580E8M · 6TQY580E8M
- Toxicity
- 192 mg/kg/4D:GIT · TDLo ivn-hmn: 192 mg/kg/4D:GIT CTRRDO 61,1719,77
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- TDLo ivn-hmn: 192 mg/kg/4D:GIT CTRRDO 61,1719,77
Chemistry & industry
Applications
UsesAntineoplastic.
Upstream & downstream products
Upstream raw materials
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Compound notes
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