(3S,6S,7R,8aS)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-7-phenyl-3-(phenylmethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

Systemtic Name: (3S,6S,7R,8aS)-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-7-phenyl-3-(phenylmethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Openeye Name: (3S,6S,7R,8aS)-3-benzyl-2-tert-butoxycarbonyl-4-oxo-7-phenyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid CAS Name: (3S,6S,7R,8aS)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-7-phenyl-3-(phenylmethyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid IUPAC Name: (3S,6S,7R,8aS)-3-benzyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-7-phenyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Traditional Name: (3S,6S,7R,8aS)-3-benzyl-2-tert-butoxycarbonyl-4-keto-7-phenyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC(C(N2C(=O)C1CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([C@H](N2C(=O)[C@@H]1CC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O5/c1-26(2,3)33-25(32)27-16-19-15-20(18-12-8-5-9-13-18)22(24(30)31)28(19)23(29)21(27)14-17-10-6-4-7-11-17/h4-13,19-22H,14-16H2,1-3H3,(H,30,31)/t19-,20+,21-,22-/m0/s1