[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-4-(methylthio)butanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-4-(methylthio)butyric acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C23H30N2O5S/c1-23(2,3)25(15-17-9-6-5-7-10-17)20(26)16-30-22(28)18(12-14-31-4)24-21(27)19-11-8-13-29-19/h5-11,13,18H,12,14-16H2,1-4H3,(H,24,27)/t18-/m0/s1