Calcitonin, porcine

Base Information

• Chemical Name: Calcitonin, porcine
• CAS No.: 12321-44-7
• Molecular Formula: C159H234N46O45S3
• Molecular Weight: 3604.02
• DSSTox Substance ID: DTXSID50153898
• Mol file: 12321-44-7.mol

Synonyms:Calcitonin, porcine;12321-44-7;SCHEMBL270044;DTXSID50153898;NCGC00181747-01;NS00121358

Chemical Property of Calcitonin, porcine

Chemical Property:

• PSA: 1549.07000
• LogP: 0.10960
• Storage Temp.: −20°C
• XLogP3: -12.9
• Hydrogen Bond Donor Count: 53
• Hydrogen Bond Acceptor Count: 52
• Rotatable Bond Count: 112
• Exact Mass: 3604.6631879
• Heavy Atom Count: 253
• Complexity: 8530

Purity/Quality:

99% ^*data from raw suppliers

Calcitonin (porcine) H-Cys-Ser-Asn-Leu-Ser-Thr-Cys-Val-Leu-Ser-Ala-Tyr-Trp-Arg-Asn-Leu-Asn-Asn-Phe-His-Arg-Phe-Ser-Gly-Met-Gly-Phe-Gly-Pro-Glu-Thr-Pro-NH2 (Disulfide bond) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)NCC(=O)NC(CCSC)C(=O)NCC(=O)NC(CC4=CC=CC=C4)C(=O)NCC(=O)N5CCCC5C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)N6CCCC6C(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC7=CNC8=CC=CC=C87)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CS)N
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CC7=CC=CC=C7)C(=O)NCC(=O)N8CCC[C@H]8C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N9CCC[C@H]9C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N)O