Hirudin (54-64), N(alpha)-dinitrofluorobenzyl-

Base Information

• Chemical Name: Hirudin (54-64), N(alpha)-dinitrofluorobenzyl-
• CAS No.: 127761-72-2
• Molecular Formula: C68H88 F N13 O27
• Molecular Weight: 1538.4956232
• DSSTox Substance ID: DTXSID20155662
• Wikidata: Q83023621
• Mol file: 127761-72-2.mol

Synonyms:DNFB-hirudin (54-64);hirudin (54-64), N(alpha)-dinitrofluorobenzyl-;N(alpha)-(dinitrifluorobenzyl)hirudin (54-64)

Chemical Property of Hirudin (54-64), N(alpha)-dinitrofluorobenzyl-

Chemical Property:

• XLogP3: -1.3
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 45
• Exact Mass: 1537.58966274
• Heavy Atom Count: 109
• Complexity: 3230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNCC4=CC(=C(C=C4[N+](=O)[O-])[N+](=O)[O-])F
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNCC4=CC(=C(C=C4[N+](=O)[O-])[N+](=O)[O-])F

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