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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CCCN(C1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CNC(=O)[C@H]1CCCN(C1)C(=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)22-10-5-13-32(17-22)27(34)24(15-18-6-4-9-21(14-18)25(28)29)31-37(35,36)23-12-11-19-7-2-3-8-20(19)16-23/h2-4,6-9,11-12,14,16,22,24,31H,5,10,13,15,17H2,1H3,(H3,28,29)(H,30,33)/t22-,24-/m0/s1