1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-1-ylmethylsulfamoylamino)propanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-1-ylmethylsulfamoylamino)propanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[3-(3-carbamimidoylphenyl)-2-(1-naphthylmethylsulfamoylamino)propanoyl]piperidine-2-carboxylic acid CAS Name: 1-[3-(3-carbamimidoylphenyl)-2-(1-naphthalenylmethylsulfamoylamino)-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[3-(3-carbamimidoylphenyl)-2-(naphthalen-1-ylmethylsulfamoylamino)propanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-(3-amidinophenyl)-2-(1-naphthylmethylsulfamoylamino)propanoyl]pipecolinic acid Formula: C27H31N5O5S MolecularWeight: 537.63054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)NCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H31N5O5S/c28-25(29)20-10-5-7-18(15-20)16-23(26(33)32-14-4-3-13-24(32)27(34)35)31-38(36,37)30-17-21-11-6-9-19-8-1-2-12-22(19)21/h1-2,5-12,15,23-24,30-31H,3-4,13-14,16-17H2,(H3,28,29)(H,34,35)