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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C27H30N4O5S/c1-36-27(33)22-10-5-13-31(17-22)26(32)24(15-18-6-4-9-21(14-18)25(28)29)30-37(34,35)23-12-11-19-7-2-3-8-20(19)16-23/h2-4,6-9,11-12,14,16,22,24,30H,5,10,13,15,17H2,1H3,(H3,28,29)/t22-,24-/m0/s1