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

Systemtic Name: 4-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-naphthalen-1-ylsulfonyl-amino]butanoic acid Openeye Name: 4-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(1-naphthylsulfonyl)amino]butanoic acid CAS Name: 4-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(1-naphthalenylsulfonyl)amino]butanoic acid IUPAC Name: 4-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-naphthalen-1-ylsulfonylamino]butanoic acid Traditional Name: 4-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(1-naphthylsulfonyl)amino]butyric acid Formula: C33H34N4O5S MolecularWeight: 598.71186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)N(CCCC(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43)N(C1)C(=O)CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)N(CCCC(=O)O)S(=O)(=O)C3=CC=CC4=CC=CC=C43)N(C1)C(=O)CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C33H34N4O5S/c34-33(35)25-15-12-23(13-16-25)14-19-31(38)36-20-4-8-26-22-27(17-18-29(26)36)37(21-5-11-32(39)40)43(41,42)30-10-3-7-24-6-1-2-9-28(24)30/h1-3,6-7,9-10,12-13,15-18,22H,4-5,8,11,14,19-21H2,(H3,34,35)(H,39,40)