3-[4-(3-methyl-5-oxidanylidene-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxidanylidene-2-(thiophen-2-ylmethyl)propanoic acid

Systemtic Name: 3-[4-(3-methyl-5-oxidanylidene-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxidanylidene-2-(thiophen-2-ylmethyl)propanoic acid Openeye Name: 3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)-1-piperidyl]-3-oxo-2-(2-thienylmethyl)propanoic acid CAS Name: 3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)-1-piperidinyl]-3-oxo-2-(thiophen-2-ylmethyl)propanoic acid IUPAC Name: 3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxo-2-(thiophen-2-ylmethyl)propanoic acid Traditional Name: 3-keto-3-[4-(5-keto-3-methyl-7H-imidaz[1,5-c]imidazol-6-yl)piperidino]-2-(2-thenyl)propionic acid Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2N1C(=O)N(C2)C3CCN(CC3)C(=O)C(CC4=CC=CS4)C(=O)O

Isomeric SMILES

CC1=NC=C2N1C(=O)N(C2)C3CCN(CC3)C(=O)C(CC4=CC=CS4)C(=O)O

InChI

InChI=1S/C19H22N4O4S/c1-12-20-10-14-11-22(19(27)23(12)14)13-4-6-21(7-5-13)17(24)16(18(25)26)9-15-3-2-8-28-15/h2-3,8,10,13,16H,4-7,9,11H2,1H3,(H,25,26)