Angiotensin I

Base Information

• Chemical Name: Angiotensin I
• CAS No.: 9041-90-1
• Molecular Formula: C63H91N17O13
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80866222
• Nikkaji Number: J38.546H
• Wikidata: Q539799
• Metabolomics Workbench ID: 70072
• ChEMBL ID: CHEMBL262670
• Mol file: 9041-90-1.mol

Synonyms:Angiotensin I

Chemical Property of Angiotensin I

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.42g/cm³
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 37
• Exact Mass: 1295.67749058
• Heavy Atom Count: 93
• Complexity: 2550

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CN=CN4)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N