(phenylmethyl) (2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: benzyl (2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthylsulfonylamino)propanoate CAS Name: (2S)-3-(3-carbamimidoylphenyl)-2-(2-naphthalenylsulfonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: (2S)-3-(3-amidinophenyl)-2-(2-naphthylsulfonylamino)propionic acid benzyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H25N3O4S/c28-26(29)23-12-6-9-20(15-23)16-25(27(31)34-18-19-7-2-1-3-8-19)30-35(32,33)24-14-13-21-10-4-5-11-22(21)17-24/h1-15,17,25,30H,16,18H2,(H3,28,29)/t25-/m0/s1