O3-tert-butyl O1-(phenylmethyl) (3S)-2-[(2S)-2-acetyloxy-5-oxidanylidene-5-phenylmethoxy-pentanoyl]-1,2-diazinane-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-(phenylmethyl) (3S)-2-[(2S)-2-acetyloxy-5-oxidanylidene-5-phenylmethoxy-pentanoyl]-1,2-diazinane-1,3-dicarboxylate Openeye Name: O1-benzyl O3-tert-butyl (3S)-2-[(2S)-2-acetoxy-5-benzyloxy-5-oxo-pentanoyl]hexahydropyridazine-1,3-dicarboxylate CAS Name: (3S)-2-[(2S)-2-acetyloxy-1,5-dioxo-5-phenylmethoxypentyl]diazinane-1,3-dicarboxylic acid O3-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 3-O-tert-butyl (3S)-2-[(2S)-2-acetyloxy-5-oxo-5-phenylmethoxypentanoyl]diazinane-1,3-dicarboxylate Traditional Name: (3S)-2-[(2S)-2-acetoxy-5-benzoxy-5-keto-pentanoyl]hexahydropyridazine-1,3-dicarboxylic acid O1-benzyl ester O3-tert-butyl ester Formula: C31H38N2O9 MolecularWeight: 582.64142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC(=O)OCC1=CC=CC=C1)C(=O)N2C(CCCN2C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)O[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N2[C@@H](CCCN2C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H38N2O9/c1-22(34)41-26(17-18-27(35)39-20-23-12-7-5-8-13-23)28(36)33-25(29(37)42-31(2,3)4)16-11-19-32(33)30(38)40-21-24-14-9-6-10-15-24/h5-10,12-15,25-26H,11,16-21H2,1-4H3/t25-,26-/m0/s1