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

Systemtic Name: (2S)-N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)propanamide Openeye Name: (2S)-N-[(1S)-1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)propanamide CAS Name: (2S)-N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)propanamide IUPAC Name: (2S)-N-[(2S)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)propanamide Traditional Name: (2S)-N-[(1S)-1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-(2-naphthylsulfonylamino)propionamide Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=C(C=C1)C(=N)N)C(=O)N2CCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)C(=N)N)C(=O)N2CCCCC2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33N5O4S/c1-19(32-38(36,37)24-14-13-21-7-3-4-8-23(21)18-24)27(34)31-25(28(35)33-15-5-2-6-16-33)17-20-9-11-22(12-10-20)26(29)30/h3-4,7-14,18-19,25,32H,2,5-6,15-17H2,1H3,(H3,29,30)(H,31,34)/t19-,25-/m0/s1