tert-butyl 4-[4-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-1-but-2-ynyl-5-methoxycarbonyl-imidazol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)-1-but-2-ynyl-5-methoxycarbonyl-imidazol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-amino-1-hydroxy-2-oxo-ethyl)-1-but-2-ynyl-5-methoxycarbonyl-imidazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(2-amino-1-hydroxy-2-oxoethyl)-1-but-2-ynyl-5-methoxycarbonyl-2-imidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-amino-1-hydroxy-2-oxoethyl)-1-but-2-ynyl-5-methoxycarbonylimidazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(2-amino-1-hydroxy-2-keto-ethyl)-1-but-2-ynyl-5-carbomethoxy-imidazol-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N5O6 MolecularWeight: 435.47416

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)C(C(=O)N)O)C(=O)OC

Isomeric SMILES

CC#CCN1C(=C(N=C1N2CCN(CC2)C(=O)OC(C)(C)C)C(C(=O)N)O)C(=O)OC

InChI

InChI=1S/C20H29N5O6/c1-6-7-8-25-14(17(28)30-5)13(15(26)16(21)27)22-18(25)23-9-11-24(12-10-23)19(29)31-20(2,3)4/h15,26H,8-12H2,1-5H3,(H2,21,27)