Cryptophycin 17

Base Information

• Chemical Name: Cryptophycin 17
• CAS No.: 171674-91-2
• Molecular Formula: C34H41 Cl N2 O7
• DSSTox Substance ID: DTXSID301101339
• Nikkaji Number: J2.417.625H
• Wikidata: Q105342735
• Metabolomics Workbench ID: 99678
• Mol file: 171674-91-2.mol

Synonyms:Cryptophycin 17;Cryptophycin-17;DTXSID301101339;6'-Chloro-O-demethylcryptophycin 4;171674-91-2;Cyclo[(2R)-2-methyl-beta-alanyl-(2S)-2-hydroxy-4-methylpentanoyl-(2E,5S,6R,7E)-5-hydroxy-6-methyl-8-phenyl-2,7-octadienoyl-3-chloro-D-tyrosyl]

Chemical Property of Cryptophycin 17

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 624.2602293
• Heavy Atom Count: 44
• Complexity: 1030

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Cryptophycin
• Canonical SMILES: CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C=CC2=CC=CC=C2)CC3=CC(=C(C=C3)O)Cl
• Isomeric SMILES: C[C@@H]1CNC(=O)[C@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)/C=C/C2=CC=CC=C2)CC3=CC(=C(C=C3)O)Cl