methyl (2R)-2-[2-[(3R,5S)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]propanoate

Systemtic Name: methyl (2R)-2-[2-[(3R,5S)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]propanoate Openeye Name: methyl (2R)-2-[[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]propanoate CAS Name: (2R)-2-[[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]propanoate Traditional Name: (2R)-2-[[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]amino]propionic acid methyl ester Formula: C28H35ClN2O8 MolecularWeight: 563.0391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)CC1C(=O)N(C2=C(C=C(C=C2)Cl)C(O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)CO

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)C[C@@H]1C(=O)N(C2=C(C=C(C=C2)Cl)[C@H](O1)C3=C(C(=CC=C3)OC)OC)CC(C)(C)CO

InChI

InChI=1S/C28H35ClN2O8/c1-16(27(35)38-6)30-23(33)13-22-26(34)31(14-28(2,3)15-32)20-11-10-17(29)12-19(20)24(39-22)18-8-7-9-21(36-4)25(18)37-5/h7-12,16,22,24,32H,13-15H2,1-6H3,(H,30,33)/t16-,22-,24-/m1/s1