Lantibiotic pep5

Base Information

• Chemical Name: Lantibiotic pep5
• CAS No.: 84931-86-2
• Molecular Formula: C153H256N48O39S3
• Molecular Weight: 3488.16
• Wikidata: Q108730926
• Mol file: 84931-86-2.mol

Synonyms:lantibiotic Pep5;Pep 5;Pep 5 staphylococcin

Chemical Property of Lantibiotic pep5

Chemical Property:

• Density: 1.46±0.1 g/cm3(Predicted)
• XLogP3: -13.1
• Hydrogen Bond Donor Count: 54
• Hydrogen Bond Acceptor Count: 55
• Rotatable Bond Count: 124
• Exact Mass: 3588.7875437
• Heavy Atom Count: 246
• Complexity: 8280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CS)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(=CC)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(=CC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(=C(C)S)C(=O)NC(C(C)C)C(=O)NC(CS)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CS)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(C)NC(=O)C2CCCN2C(=O)CNC(=O)C(C)NC(=O)C(=O)CC
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N/C(=C\C)/C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N/C(=C\C)/C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N/C(=C(\C)/S)/C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](C)NC(=O)C(=O)CC