N,N'-Bis((epsilon-((2,4-dinitrophenyl)amino)caproyl)tyrosyl)cystine

Base Information

• Chemical Name: N,N'-Bis((epsilon-((2,4-dinitrophenyl)amino)caproyl)tyrosyl)cystine
• CAS No.: 104077-25-0
• Molecular Formula: C48H56 N10 O18 S2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50146245
• Nikkaji Number: J827.100C
• Mol file: 104077-25-0.mol

Synonyms:(DCT)2-Cys;N,N'-bis((epsilon-((2,4-dinitrophenyl)amino)caproyl)tyrosyl)cystine

Chemical Property of N,N'-Bis((epsilon-((2,4-dinitrophenyl)amino)caproyl)tyrosyl)cystine

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 31
• Exact Mass: 1124.32154732
• Heavy Atom Count: 78
• Complexity: 1860

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)NC(CSSCC(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CCCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)NC(=O)CCCCCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CCCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)NC(=O)CCCCCNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O

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