methyl (2S)-2-[(2-methoxy-6-pentyl-phenyl)carbonylamino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoate

Systemtic Name: methyl (2S)-2-[(2-methoxy-6-pentyl-phenyl)carbonylamino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoate Openeye Name: methyl (2S)-2-[(2-methoxy-6-pentyl-benzoyl)amino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[[(2-methoxy-6-pentylphenyl)-oxomethyl]amino]-3-[(4-methoxyphenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methoxy-6-pentylbenzoyl)amino]-3-[(4-methoxyphenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(2-amyl-6-methoxy-benzoyl)amino]-3-(p-anisylthio)propionic acid methyl ester Formula: C25H33NO5S MolecularWeight: 459.59822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CC=C1)OC)C(=O)NC(CSCC2=CC=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=CC=C1)OC)C(=O)N[C@H](CSCC2=CC=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C25H33NO5S/c1-5-6-7-9-19-10-8-11-22(30-3)23(19)24(27)26-21(25(28)31-4)17-32-16-18-12-14-20(29-2)15-13-18/h8,10-15,21H,5-7,9,16-17H2,1-4H3,(H,26,27)/t21-/m1/s1