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

Systemtic Name: methyl 3-[[3-[2-(4-carbamimidoylpiperazin-1-yl)ethanoylamino]phenyl]carbonylamino]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O4/c1-28-16(26)5-6-21-17(27)13-3-2-4-14(11-13)22-15(25)12-23-7-9-24(10-8-23)18(19)20/h2-4,11H,5-10,12H2,1H3,(H3,19,20)(H,21,27)(H,22,25)