[[(2R,3S)-2-but-3-enyl-1-[1-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-azetidin-3-yl]-(phenylcarbonyl)carbamoyl] benzoate

Systemtic Name: [[(2R,3S)-2-but-3-enyl-1-[1-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-4-oxidanylidene-azetidin-3-yl]-(phenylcarbonyl)carbamoyl] benzoate Openeye Name: [benzoyl-[(2R,3S)-2-but-3-enyl-1-(2-tert-butoxy-1-diethoxyphosphoryl-2-oxo-ethyl)-4-oxo-azetidin-3-yl]carbamoyl] benzoate CAS Name: benzoic acid [[benzoyl-[(2R,3S)-2-but-3-enyl-1-[1-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-3-azetidinyl]amino]-oxomethyl] ester IUPAC Name: [benzoyl-[(2R,3S)-2-but-3-enyl-1-[1-diethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxoazetidin-3-yl]carbamoyl] benzoate Traditional Name: benzoic acid [benzoyl-[(2R,3S)-2-but-3-enyl-1-(2-tert-butoxy-1-diethoxyphosphoryl-2-keto-ethyl)-4-keto-azetidin-3-yl]carbamoyl] ester Formula: C32H39N2O10P MolecularWeight: 642.633221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(=O)OC(C)(C)C)N1C(C(C1=O)N(C(=O)C2=CC=CC=C2)C(=O)OC(=O)C3=CC=CC=C3)CCC=C)OCC

Isomeric SMILES

CCOP(=O)(C(C(=O)OC(C)(C)C)N1[C@@H]([C@@H](C1=O)N(C(=O)C2=CC=CC=C2)C(=O)OC(=O)C3=CC=CC=C3)CCC=C)OCC

InChI

InChI=1S/C32H39N2O10P/c1-7-10-21-24-25(27(36)33(24)28(30(38)44-32(4,5)6)45(40,41-8-2)42-9-3)34(26(35)22-17-13-11-14-18-22)31(39)43-29(37)23-19-15-12-16-20-23/h7,11-20,24-25,28H,1,8-10,21H2,2-6H3/t24-,25+,28?/m1/s1