ethyl 2-[[3-acetamido-8-azanyl-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-[[3-acetamido-8-azanyl-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-[[3-acetamido-8-amino-9-[(1-ethoxycarbonyl-3-methyl-butyl)carbamoyl]-4,6-dimethyl-7-oxo-phenoxazine-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[3-acetamido-8-amino-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-[[3-acetamido-8-amino-9-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[3-acetamido-8-amino-9-[(1-carbethoxy-3-methyl-butyl)carbamoyl]-7-keto-4,6-dimethyl-phenoxazine-1-carbonyl]amino]-4-methyl-valeric acid ethyl ester Formula: C34H45N5O9 MolecularWeight: 667.7492

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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)NC(=O)C

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)NC(=O)C

InChI

InChI=1S/C34H45N5O9/c1-10-46-33(44)22(12-15(3)4)37-31(42)20-14-21(36-19(9)40)17(7)29-26(20)39-27-24(25(35)28(41)18(8)30(27)48-29)32(43)38-23(13-16(5)6)34(45)47-11-2/h14-16,22-23H,10-13,35H2,1-9H3,(H,36,40)(H,37,42)(H,38,43)