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3-[2-(cyclohexylamino)-5-phenylazanyl-phenyl]sulfanylpropanoic acid

3-[2-(cyclohexylamino)-5-phenylazanyl-phenyl]sulfanylpropanoic acid

Systemtic Name:3-[2-(cyclohexylamino)-5-phenylazanyl-phenyl]sulfanylpropanoic acid
Openeye Name:3-[5-anilino-2-(cyclohexylamino)phenyl]sulfanylpropanoic acid
CAS Name:3-[[5-anilino-2-(cyclohexylamino)phenyl]thio]propanoic acid
IUPAC Name:3-[5-anilino-2-(cyclohexylamino)phenyl]sulfanylpropanoic acid
Traditional Name:3-[[5-anilino-2-(cyclohexylamino)phenyl]thio]propionic acid
Formula: C21H26N2O2S
MolecularWeight: 370.50834
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2)NC3=CC=CC=C3)SCCC(=O)O


Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2)NC3=CC=CC=C3)SCCC(=O)O


InChI

InChI=1S/C21H26N2O2S/c24-21(25)13-14-26-20-15-18(22-16-7-3-1-4-8-16)11-12-19(20)23-17-9-5-2-6-10-17/h1,3-4,7-8,11-12,15,17,22-23H,2,5-6,9-10,13-14H2,(H,24,25)


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