2-[(6,6-dimethyl-4-oxidanylidene-2-prop-2-enyl-heptanoyl)amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(6,6-dimethyl-4-oxidanylidene-2-prop-2-enyl-heptanoyl)amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(2-allyl-6,6-dimethyl-4-oxo-heptanoyl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[(6,6-dimethyl-1,4-dioxo-2-prop-2-enylheptyl)amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(6,6-dimethyl-4-oxo-2-prop-2-enylheptanoyl)amino]-3-hydroxypropanoic acid Traditional Name: 3-hydroxy-2-[2-(2-keto-4,4-dimethyl-pentyl)pent-4-enoylamino]propionic acid Formula: C15H25NO5 MolecularWeight: 299.3627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)CC(CC=C)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)CC(CC=C)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C15H25NO5/c1-5-6-10(7-11(18)8-15(2,3)4)13(19)16-12(9-17)14(20)21/h5,10,12,17H,1,6-9H2,2-4H3,(H,16,19)(H,20,21)