2-azanyl-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylamino]-3-oxo-propanoic acid CAS Name: 2-amino-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-3-oxopropanoic acid IUPAC Name: 2-amino-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-3-oxopropanoic acid Traditional Name: 2-amino-3-[(3,5-ditert-butyl-4-hydroxy-benzyl)amino]-3-keto-propionic acid Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC(=O)C(C(=O)O)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC(=O)C(C(=O)O)N

InChI

InChI=1S/C18H28N2O4/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-20-15(22)13(19)16(23)24/h7-8,13,21H,9,19H2,1-6H3,(H,20,22)(H,23,24)