N(alpha)-Acetylhirudin(45-65)

Base Information

• Chemical Name: N(alpha)-Acetylhirudin(45-65)
• CAS No.: 107569-56-2
• Molecular Formula: C110H159 N27 O41
• Molecular Weight: 2515.59576
• Mol file: 107569-56-2.mol

Synonyms:MDL 27589;MDL-27589;N(alpha)-acetylhirudin(45-65)

Chemical Property of N(alpha)-Acetylhirudin(45-65)

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: -16.9
• Hydrogen Bond Donor Count: 30
• Hydrogen Bond Acceptor Count: 45
• Rotatable Bond Count: 81
• Exact Mass: 2515.1220324
• Heavy Atom Count: 178
• Complexity: 5970

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)N1CCCC1C(=O)OC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)N)NC(=O)C(CCC(=O)OC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC3C=NC=N3)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)C5CCCN5C(=O)C(C(C)O)NC(=O)C)NC(=O)C(CCC(=O)O)NC(=O)C(CC6=CC=CC=C6)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)NC(=O)[C@H](CCC(=O)OC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC3C=NC=N3)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5C(=O)[C@H]([C@@H](C)O)NC(=O)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC6=CC=CC=C6)N