methyl 2-[[6-methyl-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-3-oxidanyl-heptanoyl]amino]propanoate

Systemtic Name: methyl 2-[[6-methyl-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-3-oxidanyl-heptanoyl]amino]propanoate Openeye Name: methyl 2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoyl]amino]propanoate CAS Name: 2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxoheptyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoyl]amino]propanoate Traditional Name: 2-[[3-hydroxy-4-[[2-(isovalerylamino)-3-methyl-butanoyl]amino]-6-methyl-heptanoyl]amino]propionic acid methyl ester Formula: C22H41N3O6 MolecularWeight: 443.57744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C)C(=O)OC)O)NC(=O)C(C(C)C)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(C)C(=O)OC)O)NC(=O)C(C(C)C)NC(=O)CC(C)C

InChI

InChI=1S/C22H41N3O6/c1-12(2)9-16(17(26)11-19(28)23-15(7)22(30)31-8)24-21(29)20(14(5)6)25-18(27)10-13(3)4/h12-17,20,26H,9-11H2,1-8H3,(H,23,28)(H,24,29)(H,25,27)