Cyclo-cadagac

Base Information

• Chemical Name: Cyclo-cadagac
• CAS No.: 143084-70-2
• Molecular Formula: C33H45 N9 O12 S3
• Molecular Weight: 855.9585
• Mol file: 143084-70-2.mol

Synonyms:cyclo(AcCys-Asn-Dtc-Amf-Gly-Asp-CysOH);cyclo(N-acetylcysteinyl-asparaginyl-(beta,beta-dimethyl)thioprolyl-(p-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine);cyclo(N-acetylcysteinyl-asparaginyl-dimethylthioprolyl-(4-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine);cyclo-CADAGAC

Chemical Property of Cyclo-cadagac

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 457.10000
• Density: 1.59g/cm³
• LogP: 1.26560
• XLogP3: -8.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 20
• Exact Mass: 855.23498143
• Heavy Atom Count: 57
• Complexity: 1770

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CS)C(=O)NC(CC(=O)N)C(=O)N(C(C=S)C(=O)O)C(=O)C(CC(=O)O)NC(=O)C=NC(=O)C(CC1=CC(C(C=C1)(C(=O)C2NCCS2)N)(C)C)N
• Isomeric SMILES: CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N([C@@H](C=S)C(=O)O)C(=O)[C@H](CC(=O)O)NC(=O)C=NC(=O)[C@H](CC1=CC(C(C=C1)(C(=O)C2NCCS2)N)(C)C)N