(phenylmethyl) 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate Openeye Name: benzyl 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]isonipecotic acid benzyl ester Formula: C33H34N4O5S MolecularWeight: 598.71186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C(=O)C(CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H34N4O5S/c34-31(35)28-12-6-9-24(19-28)20-30(36-43(40,41)29-14-13-25-10-4-5-11-27(25)21-29)32(38)37-17-15-26(16-18-37)33(39)42-22-23-7-2-1-3-8-23/h1-14,19,21,26,30,36H,15-18,20,22H2,(H3,34,35)/t30-/m0/s1