Azinomycin B
[CAS# 106486-76-4]

Identification

• Name: Azinomycin B
• Synonyms: [2-[[(1E)-1-(3-Acetoxy-4-Hydroxy-1-Azabicyclo[3.1.0]Hexan-2-Ylidene)-2-[[(1E)-1-(Hydroxymethylene)-2-Oxo-Propyl]Amino]-2-Oxo-Ethyl]Amino]-1-(2-Methyloxiran-2-Yl)-2-Oxo-Ethyl] 3-Methoxy-5-Methyl-Naphthalene-1-Carboxylate; 3-Methoxy-5-Methyl-1-Naphthalenecarboxylic Acid [2-[[(1E)-1-(3-Acetoxy-4-Hydroxy-1-Azabicyclo[3.1.0]Hexan-2-Ylidene)-2-[[(1E)-1-(Hydroxymethylene)-2-Oxopropyl]Amino]-2-Oxoethyl]Amino]-1-(2-Methyl-2-Oxiranyl)-2-Oxoethyl] Ester; 3-Methoxy-5-Methyl-Naphthalene-1-Carboxylic Acid [2-[[(1E)-1-(3-Acetoxy-4-Hydroxy-1-Azabicyclo[3.1.0]Hexan-2-Ylidene)-2-[[(E)-1-Acetyl-2-Hydroxy-Vinyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-1-(2-Methyloxiran-2-Yl)Ethyl] Ester
• Molecular Formula: C₃₁H₃₃N₃O₁₁
• Molecular Weight: 623.62
• CAS Registry Number: 106486-76-4
• SMILES: C1=C(OC)C=C5C(=C1C(OC(C2(OC2)C)C(=O)NC(=C/3N4C(C(O)C3OC(=O)C)C4)\C(=O)NC(/C(=O)C)=C/O)=O)C=CC=C5C
• InChI: 1S/C31H33N3O11/c1-14-7-6-8-18-19(14)9-17(42-5)10-20(18)30(41)45-27(31(4)13-43-31)29(40)33-23(28(39)32-21(12-35)15(2)36)24-26(44-16(3)37)25(38)22-11-34(22)24/h6-10,12,22,25-27,35,38H,11,13H2,1-5H3,(H,32,39)(H,33,40)/b21-12+,24-23+
• InChIKey: QIKVYJOCQXXRSJ-PJCBNKFBSA-N

Properties

• Density: 1.483g/cm³ (Cal.)
• Boiling point: 912.342°C at 760 mmHg (Cal.)
• Flash point: 505.566°C (Cal.)