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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)carbonylimino-4-methyl-3-(phenylmethyl)-1,3-thiazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[3-benzyl-2-(4-carbamimidoylbenzoyl)imino-4-methyl-thiazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylphenyl)-oxomethyl]imino-4-methyl-3-(phenylmethyl)-5-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-benzyl-2-(4-carbamimidoylbenzoyl)imino-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinobenzoyl)imino-3-benzyl-4-methyl-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(=N)N)N1CC3=CC=CC=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N)N1CC3=CC=CC=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C23H23N5O4S/c1-14-19(22(32)26-12-11-18(29)30)33-23(28(14)13-15-5-3-2-4-6-15)27-21(31)17-9-7-16(8-10-17)20(24)25/h2-10H,11-13H2,1H3,(H3,24,25)(H,26,32)(H,29,30)