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2-azanyl-3-[tris(4-methoxyphenyl)methylsulfanyl]propanoic acid

2-azanyl-3-[tris(4-methoxyphenyl)methylsulfanyl]propanoic acid

Systemtic Name:2-azanyl-3-[tris(4-methoxyphenyl)methylsulfanyl]propanoic acid
Openeye Name:2-amino-3-[tris(4-methoxyphenyl)methylsulfanyl]propanoic acid
CAS Name:2-amino-3-[tris(4-methoxyphenyl)methylthio]propanoic acid
IUPAC Name:2-amino-3-[tris(4-methoxyphenyl)methylsulfanyl]propanoic acid
Traditional Name:2-amino-3-[tris(4-methoxyphenyl)methylthio]propionic acid
Formula: C25H27NO5S
MolecularWeight: 453.55058
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)SCC(C(=O)O)N


Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)SCC(C(=O)O)N


InChI

InChI=1S/C25H27NO5S/c1-29-20-10-4-17(5-11-20)25(32-16-23(26)24(27)28,18-6-12-21(30-2)13-7-18)19-8-14-22(31-3)15-9-19/h4-15,23H,16,26H2,1-3H3,(H,27,28)


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