methyl 3-[2-[[(2R)-4-methylpentan-2-yl]amino]-6-phenylazanyl-phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[[(2R)-4-methylpentan-2-yl]amino]-6-phenylazanyl-phenyl]sulfanylpropanoate Openeye Name: methyl 3-[2-anilino-6-[[(1R)-1,3-dimethylbutyl]amino]phenyl]sulfanylpropanoate CAS Name: 3-[[2-anilino-6-[[(2R)-4-methylpentan-2-yl]amino]phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-anilino-6-[[(2R)-4-methylpentan-2-yl]amino]phenyl]sulfanylpropanoate Traditional Name: 3-[[2-anilino-6-[[(1R)-1,3-dimethylbutyl]amino]phenyl]thio]propionic acid methyl ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=CC=CC(=C1SCCC(=O)OC)NC2=CC=CC=C2

Isomeric SMILES

C[C@H](CC(C)C)NC1=CC=CC(=C1SCCC(=O)OC)NC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O2S/c1-16(2)15-17(3)23-19-11-8-12-20(24-18-9-6-5-7-10-18)22(19)27-14-13-21(25)26-4/h5-12,16-17,23-24H,13-15H2,1-4H3/t17-/m1/s1