1-[2-[[[(E)-N'-naphthalen-2-ylsulfonylcarbamimidoyl]amino]-phenyl-amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[[(E)-N'-naphthalen-2-ylsulfonylcarbamimidoyl]amino]-phenyl-amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(N-[[(E)-N'-(2-naphthylsulfonyl)carbamimidoyl]amino]anilino)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(N-[[(E)-amino(2-naphthalenylsulfonylimino)methyl]amino]anilino)-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(N-[[(E)-N'-naphthalen-2-ylsulfonylcarbamimidoyl]amino]anilino)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(N-[[(E)-N'-(2-naphthylsulfonyl)amidino]amino]anilino)propanoyl]proline Formula: C25H27N5O5S MolecularWeight: 509.57738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)O)N(C2=CC=CC=C2)NC(=NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)O)N(C2=CC=CC=C2)N/C(=N/S(=O)(=O)C3=CC4=CC=CC=C4C=C3)/N

InChI

InChI=1S/C25H27N5O5S/c1-17(23(31)29-15-7-12-22(29)24(32)33)30(20-10-3-2-4-11-20)27-25(26)28-36(34,35)21-14-13-18-8-5-6-9-19(18)16-21/h2-6,8-11,13-14,16-17,22H,7,12,15H2,1H3,(H,32,33)(H3,26,27,28)