Cryptophycin-49

Base Information

• Chemical Name: Cryptophycin-49
• CAS No.: 168482-43-7
• Molecular Formula: C34H41 Cl N2 O7
• DSSTox Substance ID: DTXSID201098975
• Metabolomics Workbench ID: 99444
• Wikidata: Q105347199

Synonyms:Cryptophycin-49;CHEBI:217223;DTXSID201098975;168482-43-7;(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-16-[(E,2R)-4-phenylbut-3-en-2-yl]-3-propyl-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Chemical Property of Cryptophycin-49

Chemical Property:

• XLogP3: 6.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 624.2602293
• Heavy Atom Count: 44
• Complexity: 1010

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Safty Information:

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• Canonical SMILES: CCCC1C(=O)OC(CC=CC(=O)NC(C(=O)NCC(C(=O)O1)C)CC2=CC(=C(C=C2)OC)Cl)C(C)C=CC3=CC=CC=C3
• Isomeric SMILES: CCC[C@H]1C(=O)O[C@@H](C/C=C/C(=O)N[C@@H](C(=O)NC[C@H](C(=O)O1)C)CC2=CC(=C(C=C2)OC)Cl)[C@H](C)/C=C/C3=CC=CC=C3

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