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

Systemtic Name: (2S)-N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)butanediamide Openeye Name: (2S)-N-[(1R)-1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)butanediamide CAS Name: (2S)-N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)butanediamide IUPAC Name: (2S)-N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)butanediamide Traditional Name: (2S)-N-[(1R)-1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-(2-naphthylsulfonylamino)succinamide Formula: C29H34N6O5S MolecularWeight: 578.68246

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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(CC(=O)N)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](CC(=O)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H34N6O5S/c30-26(36)18-24(34-41(39,40)23-13-12-20-6-2-3-7-22(20)17-23)28(37)33-25(29(38)35-14-4-1-5-15-35)16-19-8-10-21(11-9-19)27(31)32/h2-3,6-13,17,24-25,34H,1,4-5,14-16,18H2,(H2,30,36)(H3,31,32)(H,33,37)/t24-,25+/m0/s1