methyl (2S)-2-[[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]-oxidanyl-methyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[[1-(1-benzothiophen-2-ylcarbonylamino)cyclohexyl]-oxidanyl-methyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[[1-(benzothiophene-2-carbonylamino)cyclohexyl]-hydroxy-methyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-[[1-benzothiophen-2-yl(oxo)methyl]amino]cyclohexyl]-hydroxymethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[[1-(1-benzothiophene-2-carbonylamino)cyclohexyl]-hydroxymethyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[[1-(benzothiophene-2-carbonylamino)cyclohexyl]-hydroxy-methyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(C1(CCCCC1)NC(=O)C2=CC3=CC=CC=C3S2)O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(C1(CCCCC1)NC(=O)C2=CC3=CC=CC=C3S2)O

InChI

InChI=1S/C22H30N2O4S2/c1-28-20(26)16(10-13-29-2)23-21(27)22(11-6-3-7-12-22)24-19(25)18-14-15-8-4-5-9-17(15)30-18/h4-5,8-9,14,16,21,23,27H,3,6-7,10-13H2,1-2H3,(H,24,25)/t16-,21?/m0/s1