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

Systemtic Name: 3-[[3-butyl-2-(4-carbamimidoylphenyl)carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[3-butyl-2-(4-carbamimidoylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[3-butyl-2-[(4-carbamimidoylphenyl)-oxomethyl]imino-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-butyl-2-(4-carbamimidoylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinobenzoyl)imino-3-butyl-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)O)C

Isomeric SMILES

CCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)O)C

InChI

InChI=1S/C20H25N5O4S/c1-3-4-11-25-12(2)16(19(29)23-10-9-15(26)27)30-20(25)24-18(28)14-7-5-13(6-8-14)17(21)22/h5-8H,3-4,9-11H2,1-2H3,(H3,21,22)(H,23,29)(H,26,27)