dimethyl (2S,3R)-2-diethoxyphosphoryl-3-(4,8-dimethyl-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl)butanedioate

Systemtic Name: dimethyl (2S,3R)-2-diethoxyphosphoryl-3-(4,8-dimethyl-2-oxidanylidene-3H-1,5-benzodiazepin-1-yl)butanedioate Openeye Name: dimethyl (2S,3R)-2-diethoxyphosphoryl-3-(4,8-dimethyl-2-oxo-3H-1,5-benzodiazepin-1-yl)butanedioate CAS Name: (2S,3R)-2-diethoxyphosphoryl-3-(4,8-dimethyl-2-oxo-3H-1,5-benzodiazepin-1-yl)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,3R)-2-diethoxyphosphoryl-3-(4,8-dimethyl-2-oxo-3H-1,5-benzodiazepin-1-yl)butanedioate Traditional Name: (2S,3R)-2-diethoxyphosphoryl-3-(2-keto-4,8-dimethyl-3H-1,5-benzodiazepin-1-yl)succinic acid dimethyl ester Formula: C21H29N2O8P MolecularWeight: 468.437321

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(C(=O)OC)N1C(=O)CC(=NC2=C1C=C(C=C2)C)C)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)([C@@H]([C@@H](C(=O)OC)N1C(=O)CC(=NC2=C1C=C(C=C2)C)C)C(=O)OC)OCC

InChI

InChI=1S/C21H29N2O8P/c1-7-30-32(27,31-8-2)19(21(26)29-6)18(20(25)28-5)23-16-11-13(3)9-10-15(16)22-14(4)12-17(23)24/h9-11,18-19H,7-8,12H2,1-6H3/t18-,19-/m0/s1