methyl (1S,3S,5R)-1-acetyloxy-3-(2-acetyloxyethyl)-5-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,3S,5R)-1-acetyloxy-3-(2-acetyloxyethyl)-5-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S,3S,5R)-1-acetoxy-3-(2-acetoxyethyl)-5-[(2S)-2-amino-3-phenyl-propanoyl]oxy-4-oxo-cyclohexanecarboxylate CAS Name: (1S,3S,5R)-1-acetyloxy-3-(2-acetyloxyethyl)-5-[(2S)-2-amino-1-oxo-3-phenylpropoxy]-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3S,5R)-1-acetyloxy-3-(2-acetyloxyethyl)-5-[(2S)-2-amino-3-phenylpropanoyl]oxy-4-oxocyclohexane-1-carboxylate Traditional Name: (1S,3S,5R)-1-acetoxy-3-(2-acetoxyethyl)-5-[(2S)-2-amino-3-phenyl-propanoyl]oxy-4-keto-cyclohexanecarboxylic acid methyl ester Formula: C23H29NO9 MolecularWeight: 463.47766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1CC(CC(C1=O)OC(=O)C(CC2=CC=CC=C2)N)(C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)OCC[C@H]1C[C@](C[C@H](C1=O)OC(=O)[C@H](CC2=CC=CC=C2)N)(C(=O)OC)OC(=O)C

InChI

InChI=1S/C23H29NO9/c1-14(25)31-10-9-17-12-23(22(29)30-3,33-15(2)26)13-19(20(17)27)32-21(28)18(24)11-16-7-5-4-6-8-16/h4-8,17-19H,9-13,24H2,1-3H3/t17-,18-,19+,23-/m0/s1