S-[1-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-(methylamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-propan-2-yl] ethanethioate

Systemtic Name: S-[1-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-(methylamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-propan-2-yl] ethanethioate Openeye Name: S-[1-[(tert-butoxycarbonylamino)methyl]-2-[[(1S)-2-methyl-1-[[(1S)-3-methyl-1-(methylcarbamoyl)butyl]carbamoyl]propyl]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: S-[1-[[(2S)-3-methyl-1-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(tert-butoxycarbonylamino)methyl]-2-keto-2-[[(1S)-2-methyl-1-[[(1S)-3-methyl-1-(methylcarbamoyl)butyl]carbamoyl]propyl]amino]ethyl] ester Formula: C22H40N4O6S MolecularWeight: 488.6412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC)NC(=O)C(C(C)C)NC(=O)C(CNC(=O)OC(C)(C)C)SC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC)NC(=O)[C@H](C(C)C)NC(=O)C(CNC(=O)OC(C)(C)C)SC(=O)C

InChI

InChI=1S/C22H40N4O6S/c1-12(2)10-15(18(28)23-9)25-20(30)17(13(3)4)26-19(29)16(33-14(5)27)11-24-21(31)32-22(6,7)8/h12-13,15-17H,10-11H2,1-9H3,(H,23,28)(H,24,31)(H,25,30)(H,26,29)/t15-,16?,17-/m0/s1