ethyl 2-[[8-azanyl-3-bromanyl-9-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]-4,6-dimethyl-7-oxidanylidene-phenoxazin-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[[8-azanyl-3-bromanyl-9-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoyl]-4,6-dimethyl-7-oxidanylidene-phenoxazin-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: ethyl 2-[[8-amino-3-bromo-9-[(1-ethoxycarbonyl-3-methyl-butyl)carbamoyl]-4,6-dimethyl-7-oxo-phenoxazine-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[8-amino-3-bromo-9-[[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]-4,6-dimethyl-7-oxo-1-phenoxazinyl]-oxomethyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[[8-amino-3-bromo-9-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[8-amino-3-bromo-9-[(1-carbethoxy-3-methyl-butyl)carbamoyl]-7-keto-4,6-dimethyl-phenoxazine-1-carbonyl]amino]-4-methyl-valeric acid ethyl ester Formula: C32H41BrN4O8 MolecularWeight: 689.59394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C1=CC(=C(C2=C1N=C3C(=C(C(=O)C(=C3O2)C)N)C(=O)NC(CC(C)C)C(=O)OCC)C)Br

Isomeric SMILES

CCOC(=O)C(CC(C)C)NC(=O)C1=CC(=C(C2=C1N=C3C(=C(C(=O)C(=C3O2)C)N)C(=O)NC(CC(C)C)C(=O)OCC)C)Br

InChI

InChI=1S/C32H41BrN4O8/c1-9-43-31(41)20(11-14(3)4)35-29(39)18-13-19(33)16(7)27-24(18)37-25-22(23(34)26(38)17(8)28(25)45-27)30(40)36-21(12-15(5)6)32(42)44-10-2/h13-15,20-21H,9-12,34H2,1-8H3,(H,35,39)(H,36,40)