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

Systemtic Name: (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-methyl-piperidine-2-carboxamide Openeye Name: (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]-N-methyl-piperidine-2-carboxamide CAS Name: (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-N-methyl-2-piperidinecarboxamide IUPAC Name: (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-methylpiperidine-2-carboxamide Traditional Name: (2R)-1-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]-N-methyl-pipecolinamide Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCCCN1C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CNC(=O)[C@H]1CCCCN1C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H31N5O4S/c1-30-26(33)24-11-4-5-14-32(24)27(34)23(16-18-7-6-10-21(15-18)25(28)29)31-37(35,36)22-13-12-19-8-2-3-9-20(19)17-22/h2-3,6-10,12-13,15,17,23-24,31H,4-5,11,14,16H2,1H3,(H3,28,29)(H,30,33)/t23-,24+/m0/s1