(3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]nipecotate Formula: C26H27N4O5S- MolecularWeight: 507.58138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)[O-]

InChI

InChI=1S/C26H28N4O5S/c27-24(28)20-8-3-5-17(13-20)14-23(25(31)30-12-4-9-21(16-30)26(32)33)29-36(34,35)22-11-10-18-6-1-2-7-19(18)15-22/h1-3,5-8,10-11,13,15,21,23,29H,4,9,12,14,16H2,(H3,27,28)(H,32,33)/p-1/t21-,23-/m0/s1