2-[[2-[[8-azanyl-4,6-dimethyl-9-[[1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-7-oxidanylidene-phenoxazin-1-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[8-azanyl-4,6-dimethyl-9-[[1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-7-oxidanylidene-phenoxazin-1-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[8-amino-9-[[1-[(1-carboxy-2-methyl-propyl)carbamoyl]-2-hydroxy-propyl]carbamoyl]-4,6-dimethyl-7-oxo-phenoxazine-1-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[[8-amino-9-[[[3-hydroxy-1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxobutan-2-yl]amino]-oxomethyl]-4,6-dimethyl-7-oxo-1-phenoxazinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[8-amino-9-[[3-hydroxy-1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[8-amino-9-[[1-[(1-carboxy-2-methyl-propyl)carbamoyl]-2-hydroxy-propyl]carbamoyl]-7-keto-4,6-dimethyl-phenoxazine-1-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butyric acid Formula: C34H44N6O12 MolecularWeight: 728.74616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)N=C3C(=C(C(=O)C(=C3O2)C)N)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)N=C3C(=C(C(=O)C(=C3O2)C)N)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C34H44N6O12/c1-11(2)20(33(48)49)37-31(46)22(15(7)41)39-29(44)17-10-9-13(5)27-24(17)36-25-18(19(35)26(43)14(6)28(25)52-27)30(45)40-23(16(8)42)32(47)38-21(12(3)4)34(50)51/h9-12,15-16,20-23,41-42H,35H2,1-8H3,(H,37,46)(H,38,47)(H,39,44)(H,40,45)(H,48,49)(H,50,51)