ethyl (2S,3R)-3-[1-(1-acetyloxy-2-methyl-propan-2-yl)indol-3-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl (2S,3R)-3-[1-(1-acetyloxy-2-methyl-propan-2-yl)indol-3-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl (2S,3R)-3-[1-(2-acetoxy-1,1-dimethyl-ethyl)indol-3-yl]-2-(benzyloxycarbonylamino)-3-hydroxy-propanoate CAS Name: (2S,3R)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)-3-indolyl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S,3R)-3-[1-(2-acetoxy-1,1-dimethyl-ethyl)indol-3-yl]-2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid ethyl ester Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CN(C2=CC=CC=C21)C(C)(C)COC(=O)C)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C1=CN(C2=CC=CC=C21)C(C)(C)COC(=O)C)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H32N2O7/c1-5-34-25(32)23(28-26(33)35-16-19-11-7-6-8-12-19)24(31)21-15-29(22-14-10-9-13-20(21)22)27(3,4)17-36-18(2)30/h6-15,23-24,31H,5,16-17H2,1-4H3,(H,28,33)/t23-,24+/m0/s1