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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(C(=O)O)(N)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)C(C(=O)O)(N)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/c31-28(32)21-11-8-19(9-12-21)10-15-26(36)35-17-3-6-22-18-23(13-14-24(22)35)30(33,29(37)38)41(39,40)25-7-1-4-20-5-2-16-34-27(20)25/h1-2,4-5,7-9,11-14,16,18H,3,6,10,15,17,33H2,(H3,31,32)(H,37,38)