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

Systemtic Name: 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carboxamide CAS Name: 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxamide Traditional Name: 1-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-N-benzyl-isonipecotamide Formula: C33H35N5O4S MolecularWeight: 597.7271

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=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)NCC2=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/C33H35N5O4S/c34-31(35)28-12-6-9-24(19-28)20-30(37-43(41,42)29-14-13-25-10-4-5-11-27(25)21-29)33(40)38-17-15-26(16-18-38)32(39)36-22-23-7-2-1-3-8-23/h1-14,19,21,26,30,37H,15-18,20,22H2,(H3,34,35)(H,36,39)/t30-/m0/s1