3-[[3,4-dimethyl-2-[4-[C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenyl]carbonylimino-1,3-thiazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3,4-dimethyl-2-[4-[C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenyl]carbonylimino-1,3-thiazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[3,4-dimethyl-2-[4-[4-(2-pyridyl)piperazine-1-carboximidoyl]benzoyl]imino-thiazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[[4-[imino-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]-oxomethyl]imino-3,4-dimethyl-5-thiazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3,4-dimethyl-2-[4-(4-pyridin-2-ylpiperazine-1-carboximidoyl)benzoyl]imino-1,3-thiazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[3,4-dimethyl-2-[4-[4-(2-pyridyl)piperazine-1-carboximidoyl]benzoyl]imino-4-thiazoline-5-carbonyl]amino]propionic acid Formula: C26H29N7O4S MolecularWeight: 535.61796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N3CCN(CC3)C4=CC=CC=N4)N1C)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)C(=N)N3CCN(CC3)C4=CC=CC=N4)N1C)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H29N7O4S/c1-17-22(25(37)29-12-10-21(34)35)38-26(31(17)2)30-24(36)19-8-6-18(7-9-19)23(27)33-15-13-32(14-16-33)20-5-3-4-11-28-20/h3-9,11,27H,10,12-16H2,1-2H3,(H,29,37)(H,34,35)