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

Systemtic Name: 4-[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethyl-propyl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-[(3R,5S)-1-(3-acetyloxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-[(3R,5S)-1-(3-acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C34H43ClN2O9 MolecularWeight: 659.16622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCC3CCC(CC3)C(=O)O)C4=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC(=O)OCC(C)(C)CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)NCC3CCC(CC3)C(=O)O)C4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C34H43ClN2O9/c1-20(38)45-19-34(2,3)18-37-26-14-13-23(35)15-25(26)30(24-7-6-8-27(43-4)31(24)44-5)46-28(32(37)40)16-29(39)36-17-21-9-11-22(12-10-21)33(41)42/h6-8,13-15,21-22,28,30H,9-12,16-19H2,1-5H3,(H,36,39)(H,41,42)/t21?,22?,28-,30-/m1/s1