(2S)-N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanamide

Systemtic Name: (2S)-N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanamide Openeye Name: (2S)-N-[(1S)-1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-3-hydroxy-2-(2-naphthylsulfonylamino)propanamide CAS Name: (2S)-N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-3-hydroxy-2-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: (2S)-N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: (2S)-N-[(1S)-1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-3-hydroxy-2-(2-naphthylsulfonylamino)propionamide Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N5O5S/c29-26(30)21-10-8-19(9-11-21)16-24(28(36)33-14-4-1-5-15-33)31-27(35)25(18-34)32-39(37,38)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24-25,32,34H,1,4-5,14-16,18H2,(H3,29,30)(H,31,35)/t24-,25-/m0/s1