3-methyl-2-[[6-methyl-4-[(2-naphthalen-1-yl-2-oxidanyl-ethanoyl)amino]-3-oxidanyl-heptanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[6-methyl-4-[(2-naphthalen-1-yl-2-oxidanyl-ethanoyl)amino]-3-oxidanyl-heptanoyl]amino]butanoic acid Openeye Name: 2-[[3-hydroxy-4-[[2-hydroxy-2-(1-naphthyl)acetyl]amino]-6-methyl-heptanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-hydroxy-4-[[2-hydroxy-2-(1-naphthalenyl)-1-oxoethyl]amino]-6-methyl-1-oxoheptyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-hydroxy-4-[(2-hydroxy-2-naphthalen-1-ylacetyl)amino]-6-methylheptanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-hydroxy-4-[[2-hydroxy-2-(1-naphthyl)acetyl]amino]-6-methyl-heptanoyl]amino]-3-methyl-butyric acid Formula: C25H34N2O6 MolecularWeight: 458.54726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(C1=CC=CC2=CC=CC=C21)O

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(C1=CC=CC2=CC=CC=C21)O

InChI

InChI=1S/C25H34N2O6/c1-14(2)12-19(20(28)13-21(29)27-22(15(3)4)25(32)33)26-24(31)23(30)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,14-15,19-20,22-23,28,30H,12-13H2,1-4H3,(H,26,31)(H,27,29)(H,32,33)