2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-isoquinolin-5-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-isoquinolin-5-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(5-isoquinolylsulfonyl)amino]acetic acid CAS Name: 2-[[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-(5-isoquinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-isoquinolin-5-ylsulfonylamino]acetic acid Traditional Name: 2-[[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-(5-isoquinolylsulfonyl)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=C3C=CN=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=C3C=CN=C4)N(C1)C(=O)CCC5=CC=C(C=C5)C(=N)N

InChI

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