ethanoic acid; pyridin-2-ylmethyl 3-[[3-butyl-2-(4-carbamimidoylphenyl)carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate

Systemtic Name: ethanoic acid; pyridin-2-ylmethyl 3-[[3-butyl-2-(4-carbamimidoylphenyl)carbonylimino-4-methyl-1,3-thiazol-5-yl]carbonylamino]propanoate Openeye Name: acetic acid; 2-pyridylmethyl 3-[[3-butyl-2-(4-carbamimidoylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoate CAS Name: acetic acid; 3-[[[3-butyl-2-[(4-carbamimidoylphenyl)-oxomethyl]imino-4-methyl-5-thiazolyl]-oxomethyl]amino]propanoic acid 2-pyridinylmethyl ester IUPAC Name: acetic acid; pyridin-2-ylmethyl 3-[[3-butyl-2-(4-carbamimidoylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoate Traditional Name: acetic acid; 3-[[2-(4-amidinobenzoyl)imino-3-butyl-4-methyl-4-thiazoline-5-carbonyl]amino]propionic acid 2-pyridylmethyl ester Formula: C28H34N6O6S MolecularWeight: 582.67116

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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)OCC3=CC=CC=N3)C.CC(=O)O

Isomeric SMILES

CCCCN1C(=C(SC1=NC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)OCC3=CC=CC=N3)C.CC(=O)O

InChI

InChI=1S/C26H30N6O4S.C2H4O2/c1-3-4-15-32-17(2)22(25(35)30-14-12-21(33)36-16-20-7-5-6-13-29-20)37-26(32)31-24(34)19-10-8-18(9-11-19)23(27)28;1-2(3)4/h5-11,13H,3-4,12,14-16H2,1-2H3,(H3,27,28)(H,30,35);1H3,(H,3,4)