5-Deasparagine-somatostatin

Base Information

• Chemical Name: 5-Deasparagine-somatostatin
• CAS No.: 54786-81-1
• Molecular Formula: C72H98N16O17S2
• Molecular Weight: 1523.78
• Mol file: 54786-81-1.mol

Synonyms:5-deasparagine-somatostatin;5-des-Asn-somatostatin;5-des-Asn-SRIH;somatostatin, deasparagine(5)-;somatostatin, des-Asn(5)-

Chemical Property of 5-Deasparagine-somatostatin

Chemical Property:

• XLogP3: -1.3
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 24
• Exact Mass: 1522.67372807
• Heavy Atom Count: 107
• Complexity: 2930

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)O)CO)C(C)O)CC6=CC=CC=C6)O
• Isomeric SMILES: C[C@H](C1C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CCCCN)NC(=O)CNC(=O)[C@H](C)N)C(=O)O)CO)[C@@H](C)O)CC6=CC=CC=C6)O

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