tert-butyl 4-[3-[3-(1-azanylethenylamino)propyl]-2-(methylcarbamoyl)-4-oxidanylidene-azetidin-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[3-(1-azanylethenylamino)propyl]-2-(methylcarbamoyl)-4-oxidanylidene-azetidin-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-(1-aminovinylamino)propyl]-2-(methylcarbamoyl)-4-oxo-azetidine-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[3-(1-aminoethenylamino)propyl]-2-(methylcarbamoyl)-4-oxo-1-azetidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3-(1-aminoethenylamino)propyl]-2-(methylcarbamoyl)-4-oxoazetidine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-[3-(1-aminovinylamino)propyl]-2-keto-4-(methylcarbamoyl)azetidine-1-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H34N6O5 MolecularWeight: 438.52116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)NC

InChI

InChI=1S/C20H34N6O5/c1-13(21)23-8-6-7-14-15(16(27)22-5)26(17(14)28)18(29)24-9-11-25(12-10-24)19(30)31-20(2,3)4/h14-15,23H,1,6-12,21H2,2-5H3,(H,22,27)