N-[(2R)-1-(azepan-1-yl)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide

Systemtic Name: N-[(2R)-1-(azepan-1-yl)-3-(4-carbamimidoylphenyl)-1-oxidanylidene-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide Openeye Name: N-[(1R)-2-(azepan-1-yl)-1-[(4-carbamimidoylphenyl)methyl]-2-oxo-ethyl]-2-(2-naphthylsulfonylamino)acetamide CAS Name: N-[(2R)-1-(1-azepanyl)-3-(4-carbamimidoylphenyl)-1-oxopropan-2-yl]-2-(2-naphthalenylsulfonylamino)acetamide IUPAC Name: N-[(2R)-1-(azepan-1-yl)-3-(4-carbamimidoylphenyl)-1-oxopropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide Traditional Name: N-[(1R)-1-(4-amidinobenzyl)-2-(azepan-1-yl)-2-keto-ethyl]-2-(2-naphthylsulfonylamino)acetamide Formula: C28H33N5O4S MolecularWeight: 535.65772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H33N5O4S/c29-27(30)22-11-9-20(10-12-22)17-25(28(35)33-15-5-1-2-6-16-33)32-26(34)19-31-38(36,37)24-14-13-21-7-3-4-8-23(21)18-24/h3-4,7-14,18,25,31H,1-2,5-6,15-17,19H2,(H3,29,30)(H,32,34)/t25-/m1/s1