2-[2-[(2R)-4-cyclohexylcarbonyl-2-[[(3S)-2-oxidanylidenepiperidin-3-yl]carbamoyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(2R)-4-cyclohexylcarbonyl-2-[[(3S)-2-oxidanylidenepiperidin-3-yl]carbamoyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(2R)-4-(cyclohexanecarbonyl)-2-[[(3S)-2-oxo-3-piperidyl]carbamoyl]piperazin-1-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(2R)-4-[cyclohexyl(oxo)methyl]-2-[oxo-[[(3S)-2-oxo-3-piperidinyl]amino]methyl]-1-piperazinyl]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(2R)-4-(cyclohexanecarbonyl)-2-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]piperazin-1-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(2R)-4-(cyclohexanecarbonyl)-2-[[(3S)-2-keto-3-piperidyl]carbamoyl]piperazino]-2-keto-ethyl]thio]acetate Formula: C21H31N4O6S- MolecularWeight: 467.55904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN([C@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C21H32N4O6S/c26-17(12-32-13-18(27)28)25-10-9-24(21(31)14-5-2-1-3-6-14)11-16(25)20(30)23-15-7-4-8-22-19(15)29/h14-16H,1-13H2,(H,22,29)(H,23,30)(H,27,28)/p-1/t15-,16+/m0/s1