ethyl (2S)-2-[2-[[(2R)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanylpropanoate

Systemtic Name: ethyl (2S)-2-[2-[[(2R)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanylpropanoate Openeye Name: ethyl (2S)-2-[5-anilino-2-[[(1R)-1,3-dimethylbutyl]amino]phenyl]sulfanylpropanoate CAS Name: (2S)-2-[[5-anilino-2-[[(2R)-4-methylpentan-2-yl]amino]phenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[5-anilino-2-[[(2R)-4-methylpentan-2-yl]amino]phenyl]sulfanylpropanoate Traditional Name: (2S)-2-[[5-anilino-2-[[(1R)-1,3-dimethylbutyl]amino]phenyl]thio]propionic acid ethyl ester Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)CC(C)C

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=C(C=CC(=C1)NC2=CC=CC=C2)N[C@H](C)CC(C)C

InChI

InChI=1S/C23H32N2O2S/c1-6-27-23(26)18(5)28-22-15-20(25-19-10-8-7-9-11-19)12-13-21(22)24-17(4)14-16(2)3/h7-13,15-18,24-25H,6,14H2,1-5H3/t17-,18+/m1/s1