2-[2-[2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoyl]-1-(4-carbamimidoylphenyl)carbonyl-piperidin-4-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-[2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoyl]-1-(4-carbamimidoylphenyl)carbonyl-piperidin-4-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-[2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoyl]-1-(4-carbamimidoylbenzoyl)-4-piperidyl]-2-oxo-acetic acid CAS Name: 2-[2-[2-amino-3-(4-hydroxy-3-iodophenyl)-1-oxopropyl]-1-[(4-carbamimidoylphenyl)-oxomethyl]-4-piperidinyl]-2-oxoacetic acid IUPAC Name: 2-[2-[2-amino-3-(4-hydroxy-3-iodophenyl)propanoyl]-1-(4-carbamimidoylbenzoyl)piperidin-4-yl]-2-oxoacetic acid Traditional Name: 2-[1-(4-amidinobenzoyl)-2-[2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoyl]-4-piperidyl]-2-keto-acetic acid Formula: C24H25IN4O6 MolecularWeight: 592.38297

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)C(=O)O)C(=O)C(CC2=CC(=C(C=C2)O)I)N)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(CC1C(=O)C(=O)O)C(=O)C(CC2=CC(=C(C=C2)O)I)N)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H25IN4O6/c25-16-9-12(1-6-19(16)30)10-17(26)21(32)18-11-15(20(31)24(34)35)7-8-29(18)23(33)14-4-2-13(3-5-14)22(27)28/h1-6,9,15,17-18,30H,7-8,10-11,26H2,(H3,27,28)(H,34,35)