3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[4-(4-amidinophenyl)piperazino]acetyl]amino]propionic acid Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O3/c17-16(18)12-1-3-13(4-2-12)21-9-7-20(8-10-21)11-14(22)19-6-5-15(23)24/h1-4H,5-11H2,(H3,17,18)(H,19,22)(H,23,24)