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

Systemtic Name: methyl (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-2-carboxylate Openeye Name: methyl (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-2-carboxylate CAS Name: (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]pipecolinic acid methyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C27H30N4O5S/c1-36-27(33)24-11-4-5-14-31(24)26(32)23(16-18-7-6-10-21(15-18)25(28)29)30-37(34,35)22-13-12-19-8-2-3-9-20(19)17-22/h2-3,6-10,12-13,15,17,23-24,30H,4-5,11,14,16H2,1H3,(H3,28,29)/t23-,24+/m0/s1