3-[[2-(4-carbamimidoylphenyl)-1,3-benzothiazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1,3-benzothiazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1,3-benzothiazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1,3-benzothiazol-5-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1,3-benzothiazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1,3-benzothiazole-5-carbonyl]amino]propionic acid Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C18H16N4O3S/c19-16(20)10-1-3-11(4-2-10)18-22-13-9-12(5-6-14(13)26-18)17(25)21-8-7-15(23)24/h1-6,9H,7-8H2,(H3,19,20)(H,21,25)(H,23,24)