2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-7-bromanyl-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-7-bromanyl-9-methoxy-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(2-amino-2-oxo-ethyl)-7-bromo-2-isopropyl-9-methoxy-3-oxo-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid CAS Name: 2-[[[4-(2-amino-2-oxoethyl)-7-bromo-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepin-5-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(2-amino-2-oxoethyl)-7-bromo-9-methoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Traditional Name: 2-[[4-(2-amino-2-keto-ethyl)-7-bromo-2-isopropyl-3-keto-9-methoxy-5H-1,4-benzoxazepine-5-carbonyl]amino]acetic acid Formula: C18H22BrN3O7 MolecularWeight: 472.28718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NCC(=O)O)CC(=O)N

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)NCC(=O)O)CC(=O)N

InChI

InChI=1S/C18H22BrN3O7/c1-8(2)15-18(27)22(7-12(20)23)14(17(26)21-6-13(24)25)10-4-9(19)5-11(28-3)16(10)29-15/h4-5,8,14-15H,6-7H2,1-3H3,(H2,20,23)(H,21,26)(H,24,25)