2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C30H29N5O5S MolecularWeight: 571.64676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N(C1)C(=O)CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N(C1)C(=O)CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C30H29N5O5S/c31-30(32)22-11-8-20(9-12-22)10-15-27(36)34-17-3-6-23-18-24(13-14-25(23)34)35(19-28(37)38)41(39,40)26-7-1-4-21-5-2-16-33-29(21)26/h1-2,4-5,7-9,11-14,16,18H,3,6,10,15,17,19H2,(H3,31,32)(H,37,38)