3-(4-carbamimidoylphenyl)-2-[3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-piperidin-1-yl]propanoic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-[3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-piperidin-1-yl]propanoic acid Openeye Name: 3-(4-carbamimidoylphenyl)-2-[3-[(6,7-dimethoxy-2-naphthyl)sulfonylamino]-2-oxo-1-piperidyl]propanoic acid CAS Name: 3-(4-carbamimidoylphenyl)-2-[3-[(6,7-dimethoxy-2-naphthalenyl)sulfonylamino]-2-oxo-1-piperidinyl]propanoic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-2-[3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]propanoic acid Traditional Name: 3-(4-amidinophenyl)-2-[3-[(6,7-dimethoxy-2-naphthyl)sulfonylamino]-2-keto-piperidino]propionic acid Formula: C27H30N4O7S MolecularWeight: 554.6147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)NC3CCCN(C3=O)C(CC4=CC=C(C=C4)C(=N)N)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C=C(C=CC2=C1)S(=O)(=O)NC3CCCN(C3=O)C(CC4=CC=C(C=C4)C(=N)N)C(=O)O)OC

InChI

InChI=1S/C27H30N4O7S/c1-37-23-14-18-9-10-20(13-19(18)15-24(23)38-2)39(35,36)30-21-4-3-11-31(26(21)32)22(27(33)34)12-16-5-7-17(8-6-16)25(28)29/h5-10,13-15,21-22,30H,3-4,11-12H2,1-2H3,(H3,28,29)(H,33,34)