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2-[methyl-[3-(2-methylpropylsulfanyl)propyl]carbamoyl]oxy-3-phenyl-propanoic acid

2-[methyl-[3-(2-methylpropylsulfanyl)propyl]carbamoyl]oxy-3-phenyl-propanoic acid

Systemtic Name:2-[methyl-[3-(2-methylpropylsulfanyl)propyl]carbamoyl]oxy-3-phenyl-propanoic acid
Openeye Name:2-[3-isobutylsulfanylpropyl(methyl)carbamoyl]oxy-3-phenyl-propanoic acid
CAS Name:2-[[methyl-[3-(2-methylpropylthio)propyl]amino]-oxomethoxy]-3-phenylpropanoic acid
IUPAC Name:2-[methyl-[3-(2-methylpropylsulfanyl)propyl]carbamoyl]oxy-3-phenylpropanoic acid
Traditional Name:2-[3-(isobutylthio)propyl-methyl-carbamoyl]oxy-3-phenyl-propionic acid
Formula: C18H27NO4S
MolecularWeight: 353.47628
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCCCN(C)C(=O)OC(CC1=CC=CC=C1)C(=O)O


Isomeric SMILES

CC(C)CSCCCN(C)C(=O)OC(CC1=CC=CC=C1)C(=O)O


InChI

InChI=1S/C18H27NO4S/c1-14(2)13-24-11-7-10-19(3)18(22)23-16(17(20)21)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3,(H,20,21)


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