propan-2-yl 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate

Systemtic Name: propan-2-yl 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate Openeye Name: isopropyl 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-4-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propanoyl]isonipecotic acid isopropyl ester Formula: C29H34N4O5S MolecularWeight: 550.66906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)OC(=O)C1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H34N4O5S/c1-19(2)38-29(35)22-12-14-33(15-13-22)28(34)26(17-20-6-5-9-24(16-20)27(30)31)32-39(36,37)25-11-10-21-7-3-4-8-23(21)18-25/h3-11,16,18-19,22,26,32H,12-15,17H2,1-2H3,(H3,30,31)/t26-/m0/s1