3-[[3,4-dimethyl-2-[4-(N'-phenylcarbamimidoyl)phenyl]carbonylimino-1,3-thiazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3,4-dimethyl-2-[4-(N'-phenylcarbamimidoyl)phenyl]carbonylimino-1,3-thiazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[3,4-dimethyl-2-[4-(N'-phenylcarbamimidoyl)benzoyl]imino-thiazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[[4-[amino(phenylimino)methyl]phenyl]-oxomethyl]imino-3,4-dimethyl-5-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3,4-dimethyl-2-[4-(N'-phenylcarbamimidoyl)benzoyl]imino-1,3-thiazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[3,4-dimethyl-2-[4-(N'-phenylamidino)benzoyl]imino-4-thiazoline-5-carbonyl]amino]propionic acid Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=NC3=CC=CC=C3)N)N1C)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=NC3=CC=CC=C3)N)N1C)C(=O)NCCC(=O)O

InChI

InChI=1S/C23H23N5O4S/c1-14-19(22(32)25-13-12-18(29)30)33-23(28(14)2)27-21(31)16-10-8-15(9-11-16)20(24)26-17-6-4-3-5-7-17/h3-11H,12-13H2,1-2H3,(H2,24,26)(H,25,32)(H,29,30)