3-[[3-[2-(4-carbamimidoyl-2-oxidanylidene-piperazin-1-yl)ethanoylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[2-(4-carbamimidoyl-2-oxidanylidene-piperazin-1-yl)ethanoylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[[2-(4-carbamimidoyl-2-oxo-piperazin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[2-(4-carbamimidoyl-2-oxo-1-piperazinyl)-1-oxoethyl]amino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[[2-(4-carbamimidoyl-2-oxopiperazin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-[[2-(4-amidino-2-keto-piperazino)acetyl]amino]benzoyl]amino]propionic acid Formula: C17H22N6O5 MolecularWeight: 390.39378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=N)N)CC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1C(=N)N)CC(=O)NC2=CC=CC(=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C17H22N6O5/c18-17(19)23-7-6-22(14(25)10-23)9-13(24)21-12-3-1-2-11(8-12)16(28)20-5-4-15(26)27/h1-3,8H,4-7,9-10H2,(H3,18,19)(H,20,28)(H,21,24)(H,26,27)