2-[[4-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-7-chloranyl-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-7-chloranyl-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(2-amino-1-benzyl-2-oxo-ethyl)-7-chloro-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[4-(1-amino-1-oxo-3-phenylpropan-2-yl)-7-chloro-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(1-amino-1-oxo-3-phenylpropan-2-yl)-7-chloro-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[4-(2-amino-1-benzyl-2-keto-ethyl)-7-chloro-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C24H26ClN3O6 MolecularWeight: 487.93274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC(=O)O)C(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Cl)C(=O)NCC(=O)O)C(CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C24H26ClN3O6/c1-13(2)21-24(33)28(17(22(26)31)10-14-6-4-3-5-7-14)20(23(32)27-12-19(29)30)16-11-15(25)8-9-18(16)34-21/h3-9,11,13,17,20-21H,10,12H2,1-2H3,(H2,26,31)(H,27,32)(H,29,30)