ethyl 6-methyl-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-3-oxidanyl-heptanoate

Systemtic Name: ethyl 6-methyl-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-3-oxidanyl-heptanoate Openeye Name: ethyl 3-hydroxy-6-methyl-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoate CAS Name: 3-hydroxy-6-methyl-4-[[3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]heptanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-6-methyl-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoate Traditional Name: 3-hydroxy-4-[[2-(isovalerylamino)-3-methyl-butanoyl]amino]-6-methyl-enanthic acid ethyl ester Formula: C20H38N2O5 MolecularWeight: 386.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

Isomeric SMILES

CCOC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

InChI

InChI=1S/C20H38N2O5/c1-8-27-18(25)11-16(23)15(9-12(2)3)21-20(26)19(14(6)7)22-17(24)10-13(4)5/h12-16,19,23H,8-11H2,1-7H3,(H,21,26)(H,22,24)