3-methyl-2-[[phenethyl-[2-(phenylmethylsulfanyl)ethyl]carbamoyl]amino]-3-(phenylmethylsulfanyl)butanoate

Systemtic Name: 3-methyl-2-[[phenethyl-[2-(phenylmethylsulfanyl)ethyl]carbamoyl]amino]-3-(phenylmethylsulfanyl)butanoate Openeye Name: 3-benzylsulfanyl-2-[[2-benzylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[[oxo-[phenethyl-[2-(phenylmethylthio)ethyl]amino]methyl]amino]-3-(phenylmethylthio)butanoate IUPAC Name: 3-benzylsulfanyl-2-[[2-benzylsulfanylethyl(phenethyl)carbamoyl]amino]-3-methylbutanoate Traditional Name: 3-(benzylthio)-2-[[2-(benzylthio)ethyl-phenethyl-carbamoyl]amino]-3-methyl-butyrate Formula: C30H35N2O3S2- MolecularWeight: 535.7405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)[O-])NC(=O)N(CCC1=CC=CC=C1)CCSCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(C(=O)[O-])NC(=O)N(CCC1=CC=CC=C1)CCSCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O3S2/c1-30(2,37-23-26-16-10-5-11-17-26)27(28(33)34)31-29(35)32(19-18-24-12-6-3-7-13-24)20-21-36-22-25-14-8-4-9-15-25/h3-17,27H,18-23H2,1-2H3,(H,31,35)(H,33,34)/p-1