6-azanyl-2-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]hexanoic acid

Systemtic Name: 6-azanyl-2-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]hexanoic acid Openeye Name: 6-amino-2-[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]hexanoic acid CAS Name: 6-amino-2-[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]hexanoic acid IUPAC Name: 6-amino-2-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]hexanoic acid Traditional Name: 2-[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-6-amino-hexanoic acid Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CC=CC(=C3)C(=N)N)C(=O)C(CCCCN)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CC=CC(=C3)C(=N)N)C(=O)C(CCCCN)C(=O)O

InChI

InChI=1S/C26H30N4O5S/c27-13-4-3-10-22(26(32)33)24(31)23(15-17-6-5-9-20(14-17)25(28)29)30-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,30H,3-4,10,13,15,27H2,(H3,28,29)(H,32,33)