2-[[(3S)-3-(ethanoylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-butyl]amino]ethanoic acid

Systemtic Name: 2-[[(3S)-3-(ethanoylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-butyl]amino]ethanoic acid Openeye Name: 2-[[(3S)-3-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxo-1-phenyl-butyl]amino]acetic acid CAS Name: 2-[[(3S)-3-[(acetylthio)methyl]-4-(4-methoxyphenyl)-2-oxo-1-phenylbutyl]amino]acetic acid IUPAC Name: 2-[[(3S)-3-(acetylsulfanylmethyl)-4-(4-methoxyphenyl)-2-oxo-1-phenylbutyl]amino]acetic acid Traditional Name: 2-[[(3S)-3-[(acetylthio)methyl]-2-keto-4-(4-methoxyphenyl)-1-phenyl-butyl]amino]acetic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)OC)C(=O)C(C2=CC=CC=C2)NCC(=O)O

Isomeric SMILES

CC(=O)SC[C@@H](CC1=CC=C(C=C1)OC)C(=O)C(C2=CC=CC=C2)NCC(=O)O

InChI

InChI=1S/C22H25NO5S/c1-15(24)29-14-18(12-16-8-10-19(28-2)11-9-16)22(27)21(23-13-20(25)26)17-6-4-3-5-7-17/h3-11,18,21,23H,12-14H2,1-2H3,(H,25,26)/t18-,21?/m1/s1