2-[1-[(Z)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-5-oxidanyl-3-oxidanylidene-pent-4-enoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[(Z)-5-(4-carbamimidoylphenyl)-2,2-dimethyl-5-oxidanyl-3-oxidanylidene-pent-4-enoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[(Z)-5-(4-carbamimidoylphenyl)-5-hydroxy-2,2-dimethyl-3-oxo-pent-4-enoyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[(Z)-5-(4-carbamimidoylphenyl)-5-hydroxy-2,2-dimethyl-1,3-dioxopent-4-enyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[(Z)-5-(4-carbamimidoylphenyl)-5-hydroxy-2,2-dimethyl-3-oxopent-4-enoyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[(Z)-5-(4-amidinophenyl)-5-hydroxy-3-keto-2,2-dimethyl-pent-4-enoyl]-4-piperidyl]acetic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C=C(C1=CC=C(C=C1)C(=N)N)O)C(=O)N2CCC(CC2)CC(=O)O

Isomeric SMILES

CC(C)(C(=O)/C=C(/C1=CC=C(C=C1)C(=N)N)\O)C(=O)N2CCC(CC2)CC(=O)O

InChI

InChI=1S/C21H27N3O5/c1-21(2,20(29)24-9-7-13(8-10-24)11-18(27)28)17(26)12-16(25)14-3-5-15(6-4-14)19(22)23/h3-6,12-13,25H,7-11H2,1-2H3,(H3,22,23)(H,27,28)/b16-12-