Crabrolin

Base Information

• Chemical Name: Crabrolin
• CAS No.: 93207-22-8
• Molecular Formula: C74H130 N18 O14
• Molecular Weight: 1495.94
• DSSTox Substance ID: DTXSID40239337
• Nikkaji Number: J1.679.264K
• Mol file: 93207-22-8.mol

Synonyms:crabrolin;Phe-Leu-Pro-Leu-Ile-Leu-Arg-Lys-Ile-Val-Thr-Ala-LeuNH2

Chemical Property of Crabrolin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.29g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 48
• Exact Mass: 1495.00139089
• Heavy Atom Count: 106
• Complexity: 2890

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)CC)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N