3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]-3-(furan-3-yl)propanoic acid

Systemtic Name: 3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]-3-(furan-3-yl)propanoic acid Openeye Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]acetyl]amino]-3-(3-furyl)propanoic acid CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-1-oxoethyl]amino]-3-(3-furanyl)propanoic acid IUPAC Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]-3-(furan-3-yl)propanoic acid Traditional Name: 3-[[2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]acetyl]amino]-3-(3-furyl)propionic acid Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)CC(=O)NC(CC(=O)O)C3=COC=C3

Isomeric SMILES

C1CC(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)CC(=O)NC(CC(=O)O)C3=COC=C3

InChI

InChI=1S/C21H24N4O5/c22-20(23)13-3-5-16(6-4-13)25-8-1-2-14(21(25)29)10-18(26)24-17(11-19(27)28)15-7-9-30-12-15/h3-7,9,12,14,17H,1-2,8,10-11H2,(H3,22,23)(H,24,26)(H,27,28)