1-carbamimidoyl-N-[[(2S)-1-[2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]methyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxamide

Systemtic Name: 1-carbamimidoyl-N-[[(2S)-1-[2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]methyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxamide Openeye Name: 1-carbamimidoyl-N-[[(2S)-1-[3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxamide CAS Name: 1-carbamimidoyl-N-[[(2S)-1-[3-hydroxy-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-pyrrolidinyl]methyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxamide IUPAC Name: 1-carbamimidoyl-N-[[(2S)-1-[3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxamide Traditional Name: 1-amidino-N-[[(2S)-1-[3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxamide Formula: C25H33N6O5S+ MolecularWeight: 529.63172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CO)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC(=O)[N+]4(CCC=CC4)C(=N)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(CO)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC(=O)[N+]4(CCC=CC4)C(=N)N

InChI

InChI=1S/C25H32N6O5S/c26-24(27)31(13-4-1-5-14-31)25(34)28-16-20-9-6-12-30(20)23(33)22(17-32)29-37(35,36)21-11-10-18-7-2-3-8-19(18)15-21/h1-4,7-8,10-11,15,20,22,29,32H,5-6,9,12-14,16-17H2,(H3-,26,27,28,34)/p+1/t20-,22?,31?/m0/s1