3-[(7-benzamido-1-methoxycarbonyl-6-oxidanylidene-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-yl)carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 3-[(7-benzamido-1-methoxycarbonyl-6-oxidanylidene-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-yl)carbonylamino]-2-methyl-propanoic acid Openeye Name: 3-[(7-benzamido-1-methoxycarbonyl-6-oxo-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidine-4-carbonyl)amino]-2-methyl-propanoic acid CAS Name: 3-[[(7-benzamido-1-methoxycarbonyl-6-oxo-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-yl)-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 3-[(7-benzamido-1-methoxycarbonyl-6-oxo-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidine-4-carbonyl)amino]-2-methylpropanoic acid Traditional Name: 3-[(7-benzamido-1-carbomethoxy-6-keto-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidine-4-carbonyl)amino]-2-methyl-propionic acid Formula: C21H26N4O7 MolecularWeight: 446.45374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1CCN(C2N1C(=O)C(C2)NC(=O)C3=CC=CC=C3)C(=O)OC)C(=O)O

Isomeric SMILES

CC(CNC(=O)C1CCN(C2N1C(=O)C(C2)NC(=O)C3=CC=CC=C3)C(=O)OC)C(=O)O

InChI

InChI=1S/C21H26N4O7/c1-12(20(29)30)11-22-18(27)15-8-9-24(21(31)32-2)16-10-14(19(28)25(15)16)23-17(26)13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3,(H,22,27)(H,23,26)(H,29,30)