3-[4-[1-(4-carbamimidoylphenyl)-3-(4-ethanoylpiperazin-1-yl)-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-(4-ethanoylpiperazin-1-yl)-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-acetylpiperazin-1-yl)-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-acetyl-1-piperazinyl)-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-acetylpiperazin-1-yl)-1-(4-carbamimidoylphenyl)-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[4-(4-acetylpiperazino)-1-(4-amidinophenyl)-2-keto-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C26H29N5O4/c1-17(32)29-12-14-30(15-13-29)22-16-31(21-9-7-20(8-10-21)25(27)28)26(35)24(22)19-5-2-18(3-6-19)4-11-23(33)34/h2-3,5-10H,4,11-16H2,1H3,(H3,27,28)(H,33,34)