methyl 3-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]amino]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]amino]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)-2-oxo-acetyl]amino]benzoyl]amino]propanoate CAS Name: 3-[[[3-[[2-(4-carbamimidoyl-1-piperazinyl)-1,2-dioxoethyl]amino]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)-2-oxoacetyl]amino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[[2-(4-amidinopiperazino)-2-keto-acetyl]amino]benzoyl]amino]propionic acid methyl ester Formula: C18H24N6O5 MolecularWeight: 404.42036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC(=CC=C1)NC(=O)C(=O)N2CCN(CC2)C(=N)N

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC(=CC=C1)NC(=O)C(=O)N2CCN(CC2)C(=N)N

InChI

InChI=1S/C18H24N6O5/c1-29-14(25)5-6-21-15(26)12-3-2-4-13(11-12)22-16(27)17(28)23-7-9-24(10-8-23)18(19)20/h2-4,11H,5-10H2,1H3,(H3,19,20)(H,21,26)(H,22,27)