2-[[(3-ethanoylsulfanyl-2-methyl-propyl)-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(3-ethanoylsulfanyl-2-methyl-propyl)-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(3-acetylsulfanyl-2-methyl-propyl)-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[[3-(acetylthio)-2-methylpropyl]-phenethylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(3-acetylsulfanyl-2-methylpropyl)-phenethylcarbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[[3-(acetylthio)-2-methyl-propyl]-phenethyl-carbamoyl]amino]-3-phenyl-propionic acid Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)CSC(=O)C

Isomeric SMILES

CC(CN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)CSC(=O)C

InChI

InChI=1S/C24H30N2O4S/c1-18(17-31-19(2)27)16-26(14-13-20-9-5-3-6-10-20)24(30)25-22(23(28)29)15-21-11-7-4-8-12-21/h3-12,18,22H,13-17H2,1-2H3,(H,25,30)(H,28,29)