3-[3-(1-azanylethenylamino)propyl]-1-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-1-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-1-(4-isobutoxycarbonylpiperazine-1-carbonyl)-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-1-[[4-[2-methylpropoxy(oxo)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-1-[4-(2-methylpropoxycarbonyl)piperazine-1-carbonyl]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-1-(4-isobutoxycarbonylpiperazine-1-carbonyl)-4-keto-azetidine-2-carboxylic acid Formula: C19H31N5O6 MolecularWeight: 425.47934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N5O6/c1-12(2)11-30-19(29)23-9-7-22(8-10-23)18(28)24-15(17(26)27)14(16(24)25)5-4-6-21-13(3)20/h12,14-15,21H,3-11,20H2,1-2H3,(H,26,27)