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

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-1-(4-cyclohexyloxycarbonylpiperazin-1-yl)carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-1-[4-(cyclohexoxycarbonyl)piperazine-1-carbonyl]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-1-[[4-[cyclohexyloxy(oxo)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-1-(4-cyclohexyloxycarbonylpiperazine-1-carbonyl)-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-1-[4-(cyclohexoxycarbonyl)piperazine-1-carbonyl]-4-keto-azetidine-2-carboxylic acid Formula: C21H33N5O6 MolecularWeight: 451.51662

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)OC3CCCCC3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)C(=O)OC3CCCCC3)C(=O)O

InChI

InChI=1S/C21H33N5O6/c1-14(22)23-9-5-8-16-17(19(28)29)26(18(16)27)20(30)24-10-12-25(13-11-24)21(31)32-15-6-3-2-4-7-15/h15-17,23H,1-13,22H2,(H,28,29)