S-(2-Ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione

Base Information

• Chemical Name: S-(2-Ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione
• CAS No.: 129596-89-0
• Molecular Formula: C29H46 N8 O9 S
• Molecular Weight: 682.78874
• DSSTox Substance ID: DTXSID70156205
• Wikidata: Q83024236
• Mol file: 129596-89-0.mol

Synonyms:(14C)BMCP;BMCP;S-(2-ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione

Chemical Property of S-(2-Ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1023.5°Cat760mmHg
• Flash Point: 572.8°C
• PSA: 320.79000
• Density: 1.39g/cm³
• LogP: 3.43740
• XLogP3: -6.9
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 19
• Exact Mass: 682.31084625
• Heavy Atom Count: 47
• Complexity: 1080

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)NC(=O)C(CCCN)N)SCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N
• Isomeric SMILES: CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)NC(=O)[C@H](CCCN)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N