5-[(3-acetamidosulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-methyl-amino]-2-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-acetamidosulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-methyl-amino]-2-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-(acetamidosulfanylmethyl)-2-hydroxy-2-oxo-ethyl]-methyl-amino]-2-tert-butoxy-4-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid CAS Name: 5-[[3-(acetamidothio)-1-hydroxy-1-oxopropan-2-yl]-methylamino]-2-[(2-methylpropan-2-yl)oxy]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[(3-acetamidosulfanyl-1-hydroxy-1-oxopropan-2-yl)-methylamino]-2-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Traditional Name: 5-[[1-[(acetamidothio)methyl]-2-hydroxy-2-keto-ethyl]-methyl-amino]-2-tert-butoxy-4-(tert-butoxycarbonylamino)-5-keto-valeric acid Formula: C20H35N3O9S MolecularWeight: 493.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NSCC(C(=O)O)N(C)C(=O)C(CC(C(=O)O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NSCC(C(=O)O)N(C)C(=O)C(CC(C(=O)O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H35N3O9S/c1-11(24)22-33-10-13(16(26)27)23(8)15(25)12(21-18(30)32-20(5,6)7)9-14(17(28)29)31-19(2,3)4/h12-14H,9-10H2,1-8H3,(H,21,30)(H,22,24)(H,26,27)(H,28,29)