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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CCC(=O)O)NC(=O)CC2C(=O)N(C3=C(C=C(C=C3)Cl)C(O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)CO

Isomeric SMILES

CC1=C(C(=CC=C1)CCC(=O)O)NC(=O)C[C@@H]2C(=O)N(C3=C(C=C(C=C3)Cl)[C@H](O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)CO

InChI

InChI=1S/C34H39ClN2O8/c1-20-8-6-9-21(12-15-29(40)41)30(20)36-28(39)17-27-33(42)37(18-34(2,3)19-38)25-14-13-22(35)16-24(25)31(45-27)23-10-7-11-26(43-4)32(23)44-5/h6-11,13-14,16,27,31,38H,12,15,17-19H2,1-5H3,(H,36,39)(H,40,41)/t27-,31-/m1/s1