2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-naphthalen-1-ylsulfonyl-amino]propanoic acid

Systemtic Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-naphthalen-1-ylsulfonyl-amino]propanoic acid Openeye Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(1-naphthylsulfonyl)amino]propanoic acid CAS Name: 2-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(1-naphthalenylsulfonyl)amino]propanoic acid IUPAC Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-naphthalen-1-ylsulfonylamino]propanoic acid Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(1-naphthylsulfonyl)amino]propionic acid Formula: C32H32N4O5S MolecularWeight: 584.68528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C(=O)O)N(C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H32N4O5S/c1-21(32(38)39)36(42(40,41)29-10-4-7-23-6-2-3-9-27(23)29)26-16-17-28-25(20-26)8-5-19-35(28)30(37)18-13-22-11-14-24(15-12-22)31(33)34/h2-4,6-7,9-12,14-17,20-21H,5,8,13,18-19H2,1H3,(H3,33,34)(H,38,39)