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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)carbonylimino-3,4-dimethyl-1,3-thiazol-5-yl]carbonyl-methyl-amino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylbenzoyl)imino-3,4-dimethyl-thiazole-5-carbonyl]-methyl-amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylphenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolyl]-oxomethyl]-methylamino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylbenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid Traditional Name: 3-[[2-(4-amidinobenzoyl)imino-3,4-dimethyl-4-thiazoline-5-carbonyl]-methyl-amino]propionic acid Formula: C18H21N5O4S MolecularWeight: 403.45544

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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)N(C)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S/c1-10-14(17(27)22(2)9-8-13(24)25)28-18(23(10)3)21-16(26)12-6-4-11(5-7-12)15(19)20/h4-7H,8-9H2,1-3H3,(H3,19,20)(H,24,25)