Hymenistatin I

Base Information

• Chemical Name: Hymenistatin I
• CAS No.: 129536-23-8
• Molecular Formula: C47H72 N8 O9
• Molecular Weight: 893.133
• DSSTox Substance ID: DTXSID801045443
• Nikkaji Number: J725.124F
• Wikidata: Q105176160
• ChEMBL ID: CHEMBL2370330
• Mol file: 129536-23-8.mol

Synonyms:cyclo(-Pro-Pro-Tyr-Val-Pro-Leu-Ile-Ile-);cyclo(prolyl-prolyl-tyrosyl-valyl-prolyl-leucyl-isoleucyl-isoleucyl);hymenistatin I

Chemical Property of Hymenistatin I

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 892.54222590
• Heavy Atom Count: 64
• Complexity: 1700

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)N1)CC(C)C)C(C)C)CC5=CC=C(C=C5)O)C(C)CC
• Isomeric SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N1)CC(C)C)C(C)C)CC5=CC=C(C=C5)O)[C@@H](C)CC