Azinomycin B
Basic information
- CAS
106486-76-4- Standard SMILES
COc1cc(C(=O)O[C@H](C(=O)N/C(C(=O)N/C(=C\O)C(C)=O)=C2\[C@@H](OC(C)=O)[C@H](O)[C@@H]3CN23)[C@]2(C)CO2)c2cccc(C)c2c1- InChIKey
QIKVYJOCQXXRSJ-PKDLRSQSSA-N- Molecular formula
- C31H33N3O11
- Average molar mass
- 623.6 g/mol
- Monoisotopic mass
- 623.21150888
Overview
Azinomycin B is a member of naphthalenes.
Names & identifiers
- Preferred name
- Azinomycin B
- IUPAC
- [(1S)-2-[[(1E)-1-[(3R,4R,5S)-3-acetyloxy-4-hydroxy-1-azabicyclo[3.1.0]hexan-2-ylidene]-2-[[(Z)-1-hydroxy-3-oxobut-1-en-2-yl]amino]-2-oxoethyl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate
- English name
- azinomycin B
- Molecular formula
- C31H33N3O11
- Molecular weight
- 623.612
Names & synonyms
Azinomycin BCARZINOPHILIN A106486-76-4CardinophyllinDTXSID9040421051R55X44CCHEBI:50862NSC-200881-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, (1S)-2-(((1E)-1-((3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo(3.1.0)hex-2-ylidene)-2-(((1Z)-1-(hydroxymethylene)-2-oxopropyl)amino)-2-oxoethyl)amino)-1-((2S)-2-methyloxiranyl)-2-oxoethyl ester1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, 2-((1-(3-(acetyloxy)-4-hydroxy-1-azabicyclo(3.1.0)hex-2-ylidene)-2-((1-(hydroxymethylene)-2-oxopropyl)amino)-2-oxoethyl)amino)-1-(2-methyloxiranyl)-2-oxoethyl ester(1S)-2-{[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-{[(1Z)-1-(hydroxymethylidene)-2-oxopropyl]amino}-2-oxoethyl]amino}-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl 3-methoxy-5-methylnaphthalene-1-carboxylate[(1S)-2-[[(1E)-1-[(3R,4R,5S)-3-acetyloxy-4-hydroxy-1-azabicyclo[3.1.0]hexan-2-ylidene]-2-[[(Z)-1-hydroxy-3-oxobut-1-en-2-yl]amino]-2-oxoethyl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,310
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Melting point
- 190 ° · 190° (dec)
- alpha
- 20 · D20 +48° (c = 0.48 in CHCl3)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 51 R55X44C · 051R55X44C
- EPA Substance Registry System
- 1 · 1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, (1S)-2-[[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-[[(1Z)-1-(hydroxymethylene)-2-oxopropyl]amino]-2-oxoethyl]amino]-1-[(2S)-2-methyloxiranyl]-2-oxoethyl ester (106486-76-4)
Chemistry & industry
Additional notes
DefinitionChEBI: Azinomycin B is a member of naphthalenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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