2-[[5,5-dimethyl-4-oxidanylidene-2-(phenylmethyl)hexanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[5,5-dimethyl-4-oxidanylidene-2-(phenylmethyl)hexanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(2-benzyl-5,5-dimethyl-4-oxo-hexanoyl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[[5,5-dimethyl-1,4-dioxo-2-(phenylmethyl)hexyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(2-benzyl-5,5-dimethyl-4-oxohexanoyl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[(2-benzyl-4-keto-5,5-dimethyl-hexanoyl)amino]-3-hydroxy-propionic acid Formula: C18H25NO5 MolecularWeight: 335.3948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)CC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C18H25NO5/c1-18(2,3)15(21)10-13(9-12-7-5-4-6-8-12)16(22)19-14(11-20)17(23)24/h4-8,13-14,20H,9-11H2,1-3H3,(H,19,22)(H,23,24)