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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)carbonylimino-3,4-dimethyl-1,3-thiazol-5-yl]carbonylamino]-4-oxidanyl-butanoic acid Openeye Name: 3-[[2-(4-carbamimidoylbenzoyl)imino-3,4-dimethyl-thiazole-5-carbonyl]amino]-4-hydroxy-butanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylphenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolyl]-oxomethyl]amino]-4-hydroxybutanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylbenzoyl)imino-3,4-dimethyl-1,3-thiazole-5-carbonyl]amino]-4-hydroxybutanoic acid Traditional Name: 3-[[2-(4-amidinobenzoyl)imino-3,4-dimethyl-4-thiazoline-5-carbonyl]amino]-4-hydroxy-butyric acid Formula: C18H21N5O5S MolecularWeight: 419.45484

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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)NC(CC(=O)O)CO

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5S/c1-9-14(17(28)21-12(8-24)7-13(25)26)29-18(23(9)2)22-16(27)11-5-3-10(4-6-11)15(19)20/h3-6,12,24H,7-8H2,1-2H3,(H3,19,20)(H,21,28)(H,25,26)