tert-butyl (6S,6aS)-2-methoxy-6-oxidanyl-11-oxidanylidene-3-(3-oxidanylidene-3-phenylmethoxy-propoxy)-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

Systemtic Name: tert-butyl (6S,6aS)-2-methoxy-6-oxidanyl-11-oxidanylidene-3-(3-oxidanylidene-3-phenylmethoxy-propoxy)-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Openeye Name: tert-butyl (6S,6aS)-3-(3-benzyloxy-3-oxo-propoxy)-6-hydroxy-2-methoxy-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate CAS Name: (6S,6aS)-6-hydroxy-2-methoxy-11-oxo-3-(3-oxo-3-phenylmethoxypropoxy)-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (6S,6aS)-6-hydroxy-2-methoxy-11-oxo-3-(3-oxo-3-phenylmethoxypropoxy)-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate Traditional Name: (6S,6aS)-3-(3-benzoxy-3-keto-propoxy)-6-hydroxy-11-keto-2-methoxy-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid tert-butyl ester Formula: C28H34N2O8 MolecularWeight: 526.57816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C2CCCN2C(=O)C3=CC(=C(C=C31)OCCC(=O)OCC4=CC=CC=C4)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H]([C@@H]2CCCN2C(=O)C3=CC(=C(C=C31)OCCC(=O)OCC4=CC=CC=C4)OC)O

InChI

InChI=1S/C28H34N2O8/c1-28(2,3)38-27(34)30-21-16-23(36-14-12-24(31)37-17-18-9-6-5-7-10-18)22(35-4)15-19(21)25(32)29-13-8-11-20(29)26(30)33/h5-7,9-10,15-16,20,26,33H,8,11-14,17H2,1-4H3/t20-,26-/m0/s1