methyl (2S)-3-(4-aminophenyl)-2-[[4-(5-methoxy-2-methylsulfanyl-phenyl)pyridin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-aminophenyl)-2-[[4-(5-methoxy-2-methylsulfanyl-phenyl)pyridin-3-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(4-aminophenyl)-2-[[4-(5-methoxy-2-methylsulfanyl-phenyl)pyridine-3-carbonyl]amino]propanoate CAS Name: (2S)-3-(4-aminophenyl)-2-[[[4-[5-methoxy-2-(methylthio)phenyl]-3-pyridinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-aminophenyl)-2-[[4-(5-methoxy-2-methylsulfanylphenyl)pyridine-3-carbonyl]amino]propanoate Traditional Name: (2S)-3-(4-aminophenyl)-2-[[4-[5-methoxy-2-(methylthio)phenyl]nicotinoyl]amino]propionic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC)C2=C(C=NC=C2)C(=O)NC(CC3=CC=C(C=C3)N)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)SC)C2=C(C=NC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)N)C(=O)OC

InChI

InChI=1S/C24H25N3O4S/c1-30-17-8-9-22(32-3)19(13-17)18-10-11-26-14-20(18)23(28)27-21(24(29)31-2)12-15-4-6-16(25)7-5-15/h4-11,13-14,21H,12,25H2,1-3H3,(H,27,28)/t21-/m0/s1