(phenylmethyl) 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenylmethoxy-butanoate

Systemtic Name: (phenylmethyl) 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenylmethoxy-butanoate Openeye Name: benzyl 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-benzyloxy-butanoate CAS Name: 2-[[[1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylmethoxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylmethoxybutanoate Traditional Name: 2-[[1-[3-(acetylthio)-2-methyl-propanoyl]prolyl]amino]-3-benzoxy-butyric acid benzyl ester Formula: C29H36N2O6S MolecularWeight: 540.67094

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(C(C)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(C(C)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O6S/c1-20(19-38-22(3)32)28(34)31-16-10-15-25(31)27(33)30-26(21(2)36-17-23-11-6-4-7-12-23)29(35)37-18-24-13-8-5-9-14-24/h4-9,11-14,20-21,25-26H,10,15-19H2,1-3H3,(H,30,33)