2-[[2-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]ethyl-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]ethyl-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-tert-butoxycarbonylsulfanylethyl(phenethyl)carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]ethyl-phenethylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]ethyl-phenethylcarbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylthio)ethyl-phenethyl-carbamoyl]amino]-3-phenyl-propionic acid Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)SCCN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H32N2O5S/c1-25(2,3)32-24(31)33-17-16-27(15-14-19-10-6-4-7-11-19)23(30)26-21(22(28)29)18-20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3,(H,26,30)(H,28,29)