methyl 3-[2-[(4-oxidanylidene-4-piperazin-1-yl-butanoyl)amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-[(4-oxidanylidene-4-piperazin-1-yl-butanoyl)amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-[(4-oxo-4-piperazin-1-yl-butanoyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[1,4-dioxo-4-(1-piperazinyl)butyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-oxo-4-piperazin-1-ylbutanoyl)amino]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[(4-keto-4-piperazino-butanoyl)amino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CNC(=O)CCC(=O)N2CCNCC2

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CNC(=O)CCC(=O)N2CCNCC2

InChI

InChI=1S/C20H28N4O5/c1-29-20(28)13-16(15-5-3-2-4-6-15)23-18(26)14-22-17(25)7-8-19(27)24-11-9-21-10-12-24/h2-6,16,21H,7-14H2,1H3,(H,22,25)(H,23,26)