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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)carbonylimino-3,4-dimethyl-1,3-thiazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylbenzoyl)imino-3,4-dimethyl-thiazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylphenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylbenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinobenzoyl)imino-3,4-dimethyl-4-thiazoline-5-carbonyl]amino]propionic acid Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N)N1C)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N)N1C)C(=O)NCCC(=O)O

InChI

InChI=1S/C17H19N5O4S/c1-9-13(16(26)20-8-7-12(23)24)27-17(22(9)2)21-15(25)11-5-3-10(4-6-11)14(18)19/h3-6H,7-8H2,1-2H3,(H3,18,19)(H,20,26)(H,23,24)