methyl (6S)-6-[methanoyl-[(2S,3S,4R,5R)-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]amino]-7-oxidanylidene-7-[[2-(triethylsilyloxymethyl)phenyl]amino]heptanoate

Systemtic Name: methyl (6S)-6-[methanoyl-[(2S,3S,4R,5R)-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]amino]-7-oxidanylidene-7-[[2-(triethylsilyloxymethyl)phenyl]amino]heptanoate Openeye Name: methyl (6S)-6-[formyl-[(2S,3S,4R,5R)-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]amino]-7-oxo-7-[2-(triethylsilyloxymethyl)anilino]heptanoate CAS Name: (6S)-6-[formyl-[(2S,3S,4R,5R)-3,4,5-tris(2,2-dimethyl-1-oxopropoxy)-2-oxanyl]amino]-7-oxo-7-[2-(triethylsilyloxymethyl)anilino]heptanoic acid methyl ester IUPAC Name: methyl (6S)-6-[formyl-[(2S,3S,4R,5R)-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]amino]-7-oxo-7-[2-(triethylsilyloxymethyl)anilino]heptanoate Traditional Name: (6S)-6-[formyl-[(2S,3S,4R,5R)-3,4,5-tripivaloyloxytetrahydropyran-2-yl]amino]-7-keto-7-[2-(triethylsilyloxymethyl)anilino]enanthic acid methyl ester Formula: C42H68N2O12Si MolecularWeight: 821.08102

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Descriptors Computed from Structure

Canonical SMILES:

CC[Si](CC)(CC)OCC1=CC=CC=C1NC(=O)C(CCCCC(=O)OC)N(C=O)C2C(C(C(CO2)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

Isomeric SMILES

CC[Si](CC)(CC)OCC1=CC=CC=C1NC(=O)[C@H](CCCCC(=O)OC)N(C=O)[C@@H]2[C@H]([C@@H]([C@@H](CO2)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C42H68N2O12Si/c1-14-57(15-2,16-3)53-25-28-21-17-18-22-29(28)43-35(47)30(23-19-20-24-32(46)51-13)44(27-45)36-34(56-39(50)42(10,11)12)33(55-38(49)41(7,8)9)31(26-52-36)54-37(48)40(4,5)6/h17-18,21-22,27,30-31,33-34,36H,14-16,19-20,23-26H2,1-13H3,(H,43,47)/t30-,31+,33+,34-,36-/m0/s1