(2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H23NO4S/c1-15(23)27-14-18(12-16-8-4-2-5-9-16)20(24)22-19(21(25)26)13-17-10-6-3-7-11-17/h2-11,18-19H,12-14H2,1H3,(H,22,24)(H,25,26)/t18?,19-/m0/s1