N-[6-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetrazacycloheptadec-16-yl]-2-[[(10E,12E)-9-hydroxyoctadeca-10,12-dienoyl]amino]pentanediamide

Base Information

• Chemical Name: N-[6-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetrazacycloheptadec-16-yl]-2-[[(10E,12E)-9-hydroxyoctadeca-10,12-dienoyl]amino]pentanediamide
• CAS No.: 156223-06-2
• Molecular Formula: C46H68 N8 O11
• Molecular Weight: 909.08
• Mol file: 156223-06-2.mol

Synonyms:aselacin A

Chemical Property of N-[6-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetrazacycloheptadec-16-yl]-2-[[(10E,12E)-9-hydroxyoctadeca-10,12-dienoyl]amino]pentanediamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1356.7°C at 760 mmHg
• Flash Point: 774.3°C
• PSA: 322.17000
• Density: 1.27g/cm³
• LogP: 5.19340
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 23
• Exact Mass: 908.50075501
• Heavy Atom Count: 65
• Complexity: 1630

Purity/Quality:

95%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CC=CC(CCCCCCCC(=O)NC(CCC(=O)N)C(=O)NC1C(OC(=O)CNC(=O)C(NC(=O)C(NC(=O)CCNC1=O)CC2=CNC3=CC=CC=C32)CO)C)O
• Isomeric SMILES: CCCCC/C=C/C=C/C(CCCCCCCC(=O)NC(CCC(=O)N)C(=O)NC1C(OC(=O)CNC(=O)C(NC(=O)C(NC(=O)CCNC1=O)CC2=CNC3=CC=CC=C32)CO)C)O