3-(4-carbamimidoylphenyl)-2-[3-[(4-methoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-piperidin-1-yl]propanoic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-[3-[(4-methoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-piperidin-1-yl]propanoic acid Openeye Name: 3-(4-carbamimidoylphenyl)-2-[3-[(4-methoxy-2-naphthyl)sulfonylamino]-2-oxo-1-piperidyl]propanoic acid CAS Name: 3-(4-carbamimidoylphenyl)-2-[3-[(4-methoxy-2-naphthalenyl)sulfonylamino]-2-oxo-1-piperidinyl]propanoic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-2-[3-[(4-methoxynaphthalen-2-yl)sulfonylamino]-2-oxopiperidin-1-yl]propanoic acid Traditional Name: 3-(4-amidinophenyl)-2-[2-keto-3-[(4-methoxy-2-naphthyl)sulfonylamino]piperidino]propionic acid Formula: C26H28N4O6S MolecularWeight: 524.58872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=CC=CC=C21)S(=O)(=O)NC3CCCN(C3=O)C(CC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=CC2=CC=CC=C21)S(=O)(=O)NC3CCCN(C3=O)C(CC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C26H28N4O6S/c1-36-23-15-19(14-18-5-2-3-6-20(18)23)37(34,35)29-21-7-4-12-30(25(21)31)22(26(32)33)13-16-8-10-17(11-9-16)24(27)28/h2-3,5-6,8-11,14-15,21-22,29H,4,7,12-13H2,1H3,(H3,27,28)(H,32,33)