methyl 3-[2-[[(2S)-octan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[[(2S)-octan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanylpropanoate Openeye Name: methyl 3-[5-anilino-2-[[(1S)-1-methylheptyl]amino]phenyl]sulfanylpropanoate CAS Name: 3-[[5-anilino-2-[[(2S)-octan-2-yl]amino]phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[5-anilino-2-[[(2S)-octan-2-yl]amino]phenyl]sulfanylpropanoate Traditional Name: 3-[[5-anilino-2-[[(1S)-1-methylheptyl]amino]phenyl]thio]propionic acid methyl ester Formula: C24H34N2O2S MolecularWeight: 414.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCCC(=O)OC

Isomeric SMILES

CCCCCC[C@H](C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SCCC(=O)OC

InChI

InChI=1S/C24H34N2O2S/c1-4-5-6-8-11-19(2)25-22-15-14-21(26-20-12-9-7-10-13-20)18-23(22)29-17-16-24(27)28-3/h7,9-10,12-15,18-19,25-26H,4-6,8,11,16-17H2,1-3H3/t19-/m0/s1