ethyl 3-[[3-[2-(4-carbamimidoylpiperazin-1-yl)ethanoylamino]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[3-[2-(4-carbamimidoylpiperazin-1-yl)ethanoylamino]phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)acetyl]amino]benzoyl]amino]propanoate CAS Name: 3-[[[3-[[2-(4-carbamimidoyl-1-piperazinyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)acetyl]amino]benzoyl]amino]propanoate Traditional Name: 3-[[3-[[2-(4-amidinopiperazino)acetyl]amino]benzoyl]amino]propionic acid ethyl ester Formula: C19H28N6O4 MolecularWeight: 404.46342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C(=N)N

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C(=N)N

InChI

InChI=1S/C19H28N6O4/c1-2-29-17(27)6-7-22-18(28)14-4-3-5-15(12-14)23-16(26)13-24-8-10-25(11-9-24)19(20)21/h3-5,12H,2,6-11,13H2,1H3,(H3,20,21)(H,22,28)(H,23,26)