1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid hydrochloride

Systemtic Name: 1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid hydrochloride Openeye Name: 1-[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid hydrochloride CAS Name: 1-[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-pyrrolidinecarboxylic acid hydrochloride IUPAC Name: 1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid hydrochloride Traditional Name: 1-[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]proline hydrochloride Formula: C25H27ClN4O5S MolecularWeight: 531.02368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O.Cl

InChI

InChI=1S/C25H26N4O5S.ClH/c26-23(27)19-8-3-5-16(13-19)14-21(24(30)29-12-4-9-22(29)25(31)32)28-35(33,34)20-11-10-17-6-1-2-7-18(17)15-20;/h1-3,5-8,10-11,13,15,21-22,28H,4,9,12,14H2,(H3,26,27)(H,31,32);1H