2-[4-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperazino]acetic acid Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H29N5O5S/c27-25(28)21-7-3-4-18(14-21)15-23(26(34)31-12-10-30(11-13-31)17-24(32)33)29-37(35,36)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16,23,29H,10-13,15,17H2,(H3,27,28)(H,32,33)