(2S)-3-(4-carbamimidoylphenyl)-2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]propanoic acid

Systemtic Name: (2S)-3-(4-carbamimidoylphenyl)-2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]propanoic acid Openeye Name: (2S)-3-(4-carbamimidoylphenyl)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]propanoic acid CAS Name: (2S)-3-(4-carbamimidoylphenyl)-2-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-carbamimidoylphenyl)-2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]propanoic acid Traditional Name: (2S)-3-(4-amidinophenyl)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]propionic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC(=O)NC(CC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C22H22N4O5S/c23-21(24)16-7-5-14(6-8-16)11-19(22(28)29)26-20(27)13-25-32(30,31)18-10-9-15-3-1-2-4-17(15)12-18/h1-10,12,19,25H,11,13H2,(H3,23,24)(H,26,27)(H,28,29)/t19-/m0/s1