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

Systemtic Name: 2-[[(3S)-3-(ethanoylsulfanylmethyl)-2-oxidanylidene-1-phenyl-4-(4-phenylphenyl)butyl]amino]ethanoic acid Openeye Name: 2-[[(3S)-3-(acetylsulfanylmethyl)-2-oxo-1-phenyl-4-(4-phenylphenyl)butyl]amino]acetic acid CAS Name: 2-[[(3S)-3-[(acetylthio)methyl]-2-oxo-1-phenyl-4-(4-phenylphenyl)butyl]amino]acetic acid IUPAC Name: 2-[[(3S)-3-(acetylsulfanylmethyl)-2-oxo-1-phenyl-4-(4-phenylphenyl)butyl]amino]acetic acid Traditional Name: 2-[[(3S)-3-[(acetylthio)methyl]-2-keto-1-phenyl-4-(4-phenylphenyl)butyl]amino]acetic acid Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)NCC(=O)O

Isomeric SMILES

CC(=O)SC[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)NCC(=O)O

InChI

InChI=1S/C27H27NO4S/c1-19(29)33-18-24(16-20-12-14-22(15-13-20)21-8-4-2-5-9-21)27(32)26(28-17-25(30)31)23-10-6-3-7-11-23/h2-15,24,26,28H,16-18H2,1H3,(H,30,31)/t24-,26?/m1/s1