2-(butoxycarbonylamino)-3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]propanoate

Systemtic Name: 2-(butoxycarbonylamino)-3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]propanoate Openeye Name: 2-(butoxycarbonylamino)-3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]propanoate CAS Name: 2-[[butoxy(oxo)methyl]amino]-3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]propanoate IUPAC Name: 2-(butoxycarbonylamino)-3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]propanoate Traditional Name: 2-(butoxycarbonylamino)-3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]propionate Formula: C21H26N5O6- MolecularWeight: 444.46104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C21H27N5O6/c1-2-3-10-32-21(31)24-17(20(29)30)12-23-18(27)13-26-9-8-25(14-19(26)28)16-6-4-15(11-22)5-7-16/h4-7,17H,2-3,8-10,12-14H2,1H3,(H,23,27)(H,24,31)(H,29,30)/p-1