Nifalatide

Base Information

• Chemical Name: Nifalatide
• CAS No.: 73385-60-1
• Molecular Formula: C30H39 N7 O9 S
• Molecular Weight: 673.74
• UNII: 7ATC8US66S
• DSSTox Substance ID: DTXSID50994102
• Nikkaji Number: J269.512J
• Mol file: 73385-60-1.mol

Synonyms:nifalatide;Tyr-Met-Gly-(4-nitrophenyl)-Ala-ProNH2 S-oxide;tyrosyl-methionyl-glycyl-4-nitrophenylalanyl-prolinamide S-oxide

Chemical Property of Nifalatide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1194.5°C at 760 mmHg
• Flash Point: 676.2°C
• PSA: 290.51000
• Density: 1.418
• LogP: 4.44130
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 15
• Exact Mass: 673.25299702
• Heavy Atom Count: 47
• Complexity: 1150

Purity/Quality:

HPLC>98% ^*data from raw suppliers

NIFALATIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)CCC(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N
• Isomeric SMILES: CS(=O)CC[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N

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