3-[4-carbamimidoyl-2-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonylamino]ethoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-carbamimidoyl-2-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonylamino]ethoxy]phenyl]propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[2-[[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]amino]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[2-[[(4-methyl-2-pyridin-4-yl-5-thiazolyl)-oxomethyl]amino]ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[2-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]ethoxy]phenyl]propanoic acid Traditional Name: 3-[4-amidino-2-[2-[[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]amino]ethoxy]phenyl]propionic acid Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)NCCOC3=C(C=CC(=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)NCCOC3=C(C=CC(=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C22H23N5O4S/c1-13-19(32-22(27-13)15-6-8-25-9-7-15)21(30)26-10-11-31-17-12-16(20(23)24)3-2-14(17)4-5-18(28)29/h2-3,6-9,12H,4-5,10-11H2,1H3,(H3,23,24)(H,26,30)(H,28,29)