N-[(3S,14S,15S)-15-benzyl-10-[(2S)-butan-2-yl]-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl]-3-formamido-2-hydroxybenzamide

Base Information

• Chemical Name: N-[(3S,14S,15S)-15-benzyl-10-[(2S)-butan-2-yl]-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl]-3-formamido-2-hydroxybenzamide
• CAS No.: 22862-63-1
• Molecular Formula: C36H46 N2 O12
• Molecular Weight: 698.767
• Wikidata: Q105129111
• Mol file: 22862-63-1.mol

Synonyms:neoantimycin

Chemical Property of N-[(3S,14S,15S)-15-benzyl-10-[(2S)-butan-2-yl]-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl]-3-formamido-2-hydroxybenzamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 930.3°Cat760mmHg
• Flash Point: 516.5°C
• PSA: 203.86000
• Density: 1.29g/cm³
• LogP: 4.17130
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 698.30507491
• Heavy Atom Count: 50
• Complexity: 1200

Purity/Quality:

97% ^*data from raw suppliers

Neoantimycin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)OC(C(C(=O)OC(C(=O)OC(C(C(C(=O)O1)(C)C)O)CC2=CC=CC=C2)C(C)C)NC(=O)C3=C(C(=CC=C3)NC=O)O)C
• Isomeric SMILES: CC[C@H](C)C1C(=O)OC(C(C(=O)O[C@H](C(=O)O[C@H]([C@H](C(C(=O)O1)(C)C)O)CC2=CC=CC=C2)C(C)C)NC(=O)C3=C(C(=CC=C3)NC=O)O)C
• Uses: Neoantimycin is a rare and unusual ring-extended member of the antimycin class. Neoantimycin is produced by a Streptomyces species unrelated to antimycin-producing strains. Literature references to neoantimycin are limited but the recent discovery of the closely related metabolite, prunustatin A, as a selective GRP78 molecular chaperone down-regulator highlights the potential of this class as research probes. Neoantimycin is a macrocyclic streptomyces antibiotic.