2-[[2-(acetyloxymethyl)-4-ethanoylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[2-(acetyloxymethyl)-4-ethanoylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-(acetoxymethyl)-4-acetylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-(acetyloxymethyl)-4-(acetylthio)-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-(acetyloxymethyl)-4-acetylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-(acetoxymethyl)-4-(acetylthio)butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCSC(=O)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

Isomeric SMILES

CC(=O)OCC(CCSC(=O)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O

InChI

InChI=1S/C18H23NO7S/c1-11(20)26-10-14(7-8-27-12(2)21)17(23)19-16(18(24)25)9-13-3-5-15(22)6-4-13/h3-6,14,16,22H,7-10H2,1-2H3,(H,19,23)(H,24,25)