Gramicidin A

Base Information

• Chemical Name: Gramicidin A
• CAS No.: 4419-81-2
• Molecular Formula: C99H140N20O17
• Molecular Weight: 1882.33
• European Community (EC) Number: 234-259-8,215-790-4
• UNII: 93AG3Q5T2V
• ChEMBL ID: CHEMBL601118
• DSSTox Substance ID: DTXSID80891352
• Metabolomics Workbench ID: 143741
• NCI Thesaurus Code: C65816
• RXCUI: 5011
• Wikidata: Q27271585
• Wikipedia: Gramicidin

Synonyms:Gramicidin;Gramicidin A;Gramicidin A(1);Gramicidin B;Gramicidin C;Gramicidin D;Gramicidin Dubos;Gramicidin J;Gramicidin K;Gramicidin NF;Gramicidin P;Gramicidin S;Gramicidin, Linear;Gramicidins;Gramoderm;Linear Gramicidin

Chemical Property of Gramicidin A

Chemical Property:

• XLogP3: 10.7
• Hydrogen Bond Donor Count: 21
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 52
• Exact Mass: 1882.07388791
• Heavy Atom Count: 136
• Complexity: 3980

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(C)C)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC(C)C)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)C)NC=O
• Isomeric SMILES: C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O

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