3-[3-[[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]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[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]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[[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]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[[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]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[[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]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[[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]methyl]phenyl]propionic acid Formula: C34H39ClN2O8 MolecularWeight: 639.13506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)NCC3=CC=CC(=C3)CCC(=O)O)C4=C(C(=CC=C4)OC)OC)CO

Isomeric SMILES

CC(C)(CN1C2=C(C=C(C=C2)Cl)[C@H](O[C@@H](C1=O)CC(=O)NCC3=CC=CC(=C3)CCC(=O)O)C4=C(C(=CC=C4)OC)OC)CO

InChI

InChI=1S/C34H39ClN2O8/c1-34(2,20-38)19-37-26-13-12-23(35)16-25(26)31(24-9-6-10-27(43-3)32(24)44-4)45-28(33(37)42)17-29(39)36-18-22-8-5-7-21(15-22)11-14-30(40)41/h5-10,12-13,15-16,28,31,38H,11,14,17-20H2,1-4H3,(H,36,39)(H,40,41)/t28-,31-/m1/s1