[4-(4-azanyl-4-oxidanylidene-butoxy)-2-methoxy-phenyl]methyl (2R)-2-ethanoylsulfanyl-3-(4-phenylphenyl)propanoate

Systemtic Name: [4-(4-azanyl-4-oxidanylidene-butoxy)-2-methoxy-phenyl]methyl (2R)-2-ethanoylsulfanyl-3-(4-phenylphenyl)propanoate Openeye Name: [4-(4-amino-4-oxo-butoxy)-2-methoxy-phenyl]methyl (2R)-2-acetylsulfanyl-3-(4-phenylphenyl)propanoate CAS Name: (2R)-2-(acetylthio)-3-(4-phenylphenyl)propanoic acid [4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl ester IUPAC Name: [4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl (2R)-2-acetylsulfanyl-3-(4-phenylphenyl)propanoate Traditional Name: (2R)-2-(acetylthio)-3-(4-phenylphenyl)propionic acid [4-(4-amino-4-keto-butoxy)-2-methoxy-benzyl] ester Formula: C29H31NO6S MolecularWeight: 521.62454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC3=C(C=C(C=C3)OCCCC(=O)N)OC

Isomeric SMILES

CC(=O)S[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC3=C(C=C(C=C3)OCCCC(=O)N)OC

InChI

InChI=1S/C29H31NO6S/c1-20(31)37-27(17-21-10-12-23(13-11-21)22-7-4-3-5-8-22)29(33)36-19-24-14-15-25(18-26(24)34-2)35-16-6-9-28(30)32/h3-5,7-8,10-15,18,27H,6,9,16-17,19H2,1-2H3,(H2,30,32)/t27-/m1/s1