CID 15233656

Base Information

• Chemical Name: CID 15233656
• CAS No.: 151201-76-2
• Molecular Formula: C25H33 Cl2 N5 O7
• DSSTox Substance ID: DTXSID20904233
• Metabolomics Workbench ID: 143836
• Nikkaji Number: J735.268I
• Wikidata: Q82873479
• Mol file: 151201-76-2.mol

Synonyms:astin B

Chemical Property of CID 15233656

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 585.1757038
• Heavy Atom Count: 39
• Complexity: 935

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Useful:

• Canonical SMILES: CCC1C(=O)N2CC(C(C2C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)N1)C3=CC=CC=C3)CO)C(C)O)Cl)Cl
• Isomeric SMILES: CC[C@H]1C(=O)N2C[C@H]([C@H]([C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(=O)N1)C3=CC=CC=C3)CO)[C@H](C)O)Cl)Cl

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