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

Systemtic Name: 2-[[6-butylsulfonyl-3-(4-carbamimidoylphenyl)-2-propanoyl-3,4-dihydro-2H-quinolin-1-yl]amino]ethanoic acid Openeye Name: 2-[[6-butylsulfonyl-3-(4-carbamimidoylphenyl)-2-propanoyl-3,4-dihydro-2H-quinolin-1-yl]amino]acetic acid CAS Name: 2-[[6-butylsulfonyl-3-(4-carbamimidoylphenyl)-2-(1-oxopropyl)-3,4-dihydro-2H-quinolin-1-yl]amino]acetic acid IUPAC Name: 2-[[6-butylsulfonyl-3-(4-carbamimidoylphenyl)-2-propanoyl-3,4-dihydro-2H-quinolin-1-yl]amino]acetic acid Traditional Name: 2-[[3-(4-amidinophenyl)-6-butylsulfonyl-2-propionyl-3,4-dihydro-2H-quinolin-1-yl]amino]acetic acid Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC2=C(C=C1)N(C(C(C2)C3=CC=C(C=C3)C(=N)N)C(=O)CC)NCC(=O)O

Isomeric SMILES

CCCCS(=O)(=O)C1=CC2=C(C=C1)N(C(C(C2)C3=CC=C(C=C3)C(=N)N)C(=O)CC)NCC(=O)O

InChI

InChI=1S/C25H32N4O5S/c1-3-5-12-35(33,34)19-10-11-21-18(13-19)14-20(16-6-8-17(9-7-16)25(26)27)24(22(30)4-2)29(21)28-15-23(31)32/h6-11,13,20,24,28H,3-5,12,14-15H2,1-2H3,(H3,26,27)(H,31,32)