3-[[3-[2-(4-carbamimidoylpiperazin-1-yl)ethanoylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[2-(4-carbamimidoylpiperazin-1-yl)ethanoylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[2-(4-carbamimidoyl-1-piperazinyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[[2-(4-carbamimidoylpiperazin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[[2-(4-amidinopiperazino)acetyl]amino]benzoyl]amino]propionic acid Formula: C17H24N6O4 MolecularWeight: 376.41026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C17H24N6O4/c18-17(19)23-8-6-22(7-9-23)11-14(24)21-13-3-1-2-12(10-13)16(27)20-5-4-15(25)26/h1-3,10H,4-9,11H2,(H3,18,19)(H,20,27)(H,21,24)(H,25,26)