2-[[1-butylsulfonyl-3-(4-carbamimidoylphenyl)-2-propanoyl-3,4-dihydroquinolin-2-yl]amino]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1C2=CC=CC=C2CC(C1(C(=O)CC)NCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCS(=O)(=O)N1C2=CC=CC=C2CC(C1(C(=O)CC)NCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

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