[(2R,3R)-3-acetyloxy-4-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-1,4-bis(oxidanylidene)-1-(pyridin-4-ylmethylamino)butan-2-yl] ethanoate hydrochloride

Systemtic Name: [(2R,3R)-3-acetyloxy-4-(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)-1,4-bis(oxidanylidene)-1-(pyridin-4-ylmethylamino)butan-2-yl] ethanoate hydrochloride Openeye Name: [(1R,2R)-2-acetoxy-3-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-3-oxo-1-(4-pyridylmethylcarbamoyl)propyl] acetate hydrochloride CAS Name: acetic acid [(2R,3R)-3-acetyloxy-4-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-1,4-dioxo-1-(pyridin-4-ylmethylamino)butan-2-yl] ester hydrochloride IUPAC Name: [(2R,3R)-3-acetyloxy-4-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-1,4-dioxo-1-(pyridin-4-ylmethylamino)butan-2-yl] acetate hydrochloride Traditional Name: acetic acid [(1R,2R)-2-acetoxy-3-(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-3-keto-1-(4-pyridylmethylcarbamoyl)propyl] ester hydrochloride Formula: C27H25Cl2N3O7 MolecularWeight: 574.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl)OC(=O)C)C(=O)NCC4=CC=NC=C4.Cl

Isomeric SMILES

CC(=O)O[C@H]([C@H](C(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl)OC(=O)C)C(=O)NCC4=CC=NC=C4.Cl

InChI

InChI=1S/C27H24ClN3O7.ClH/c1-16(32)36-24(26(34)30-14-18-9-11-29-12-10-18)25(37-17(2)33)27(35)31-15-19-5-3-4-6-22(19)38-23-8-7-20(28)13-21(23)31;/h3-13,24-25H,14-15H2,1-2H3,(H,30,34);1H/t24-,25-;/m1./s1