2-[[7,8-bis(oxidanylidene)-6-undecyl-5,10-dihydrophenazin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[7,8-bis(oxidanylidene)-6-undecyl-5,10-dihydrophenazin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(7,8-dioxo-6-undecyl-5,10-dihydrophenazine-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(7,8-dioxo-6-undecyl-5,10-dihydrophenazin-2-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(7,8-dioxo-6-undecyl-5,10-dihydrophenazine-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(7,8-diketo-6-undecyl-5,10-dihydrophenazine-2-carbonyl)amino]-3-methyl-butyric acid Formula: C29H39N3O5 MolecularWeight: 509.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C(=CC(=O)C1=O)NC3=C(N2)C=CC(=C3)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC1=C2C(=CC(=O)C1=O)NC3=C(N2)C=CC(=C3)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C29H39N3O5/c1-4-5-6-7-8-9-10-11-12-13-20-26-23(17-24(33)27(20)34)30-22-16-19(14-15-21(22)31-26)28(35)32-25(18(2)3)29(36)37/h14-18,25,30-31H,4-13H2,1-3H3,(H,32,35)(H,36,37)