tert-butyl (4S,5S,6S)-5-oxidanyl-2-oxidanylidene-6-(phenylmethyl)-4-(pyridin-3-ylmethyl)-1,3-diazinane-1-carboxylate

Systemtic Name: tert-butyl (4S,5S,6S)-5-oxidanyl-2-oxidanylidene-6-(phenylmethyl)-4-(pyridin-3-ylmethyl)-1,3-diazinane-1-carboxylate Openeye Name: tert-butyl (4S,5S,6S)-6-benzyl-5-hydroxy-2-oxo-4-(3-pyridylmethyl)hexahydropyrimidine-1-carboxylate CAS Name: (4S,5S,6S)-5-hydroxy-2-oxo-6-(phenylmethyl)-4-(3-pyridinylmethyl)-1,3-diazinane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5S,6S)-6-benzyl-5-hydroxy-2-oxo-4-(pyridin-3-ylmethyl)-1,3-diazinane-1-carboxylate Traditional Name: (4S,5S,6S)-6-benzyl-5-hydroxy-2-keto-4-(3-pyridylmethyl)hexahydropyrimidine-1-carboxylic acid tert-butyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(C(NC1=O)CC2=CN=CC=C2)O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@H]([C@@H](NC1=O)CC2=CN=CC=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-22(2,3)29-21(28)25-18(13-15-8-5-4-6-9-15)19(26)17(24-20(25)27)12-16-10-7-11-23-14-16/h4-11,14,17-19,26H,12-13H2,1-3H3,(H,24,27)/t17-,18-,19-/m0/s1