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

Systemtic Name: tert-butyl 4-[3-[3-(1-azanylethenylamino)propyl]-1-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-4-oxidanylidene-azetidin-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-(1-aminovinylamino)propyl]-1-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-oxo-azetidine-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[3-(1-aminoethenylamino)propyl]-1-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]-4-oxo-2-azetidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3-(1-aminoethenylamino)propyl]-1-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-oxoazetidine-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[3-[3-(1-aminovinylamino)propyl]-1-(4-carbethoxypiperazine-1-carbonyl)-4-keto-azetidine-2-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H43N7O7 MolecularWeight: 565.66232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCNC(=C)N)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H43N7O7/c1-6-39-24(37)31-16-12-30(13-17-31)23(36)33-20(19(21(33)34)8-7-9-28-18(2)27)22(35)29-10-14-32(15-11-29)25(38)40-26(3,4)5/h19-20,28H,2,6-17,27H2,1,3-5H3