2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]-3-hydroxy-propionic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C16H21NO5S/c1-10(12-6-4-3-5-7-12)13(9-23-11(2)19)15(20)17-14(8-18)16(21)22/h3-7,10,13-14,18H,8-9H2,1-2H3,(H,17,20)(H,21,22)