3-[2-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-4-methyl-1,3-thiazol-5-yl]propanoic acid

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-4-methyl-1,3-thiazol-5-yl]propanoic acid Openeye Name: 3-[2-[(4-carbamimidoylbenzoyl)-methyl-amino]-4-methyl-thiazol-5-yl]propanoic acid CAS Name: 3-[2-[[(4-carbamimidoylphenyl)-oxomethyl]-methylamino]-4-methyl-5-thiazolyl]propanoic acid IUPAC Name: 3-[2-[(4-carbamimidoylbenzoyl)-methylamino]-4-methyl-1,3-thiazol-5-yl]propanoic acid Traditional Name: 3-[2-[(4-amidinobenzoyl)-methyl-amino]-4-methyl-thiazol-5-yl]propionic acid Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N(C)C(=O)C2=CC=C(C=C2)C(=N)N)CCC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N(C)C(=O)C2=CC=C(C=C2)C(=N)N)CCC(=O)O

InChI

InChI=1S/C16H18N4O3S/c1-9-12(7-8-13(21)22)24-16(19-9)20(2)15(23)11-5-3-10(4-6-11)14(17)18/h3-6H,7-8H2,1-2H3,(H3,17,18)(H,21,22)