2-azanyl-2-tert-butyl-3,8-bis(oxidanylidene)-4-(phenethylamino)octanoic acid

Systemtic Name: 2-azanyl-2-tert-butyl-3,8-bis(oxidanylidene)-4-(phenethylamino)octanoic acid Openeye Name: 2-amino-2-tert-butyl-3,8-dioxo-4-(phenethylamino)octanoic acid CAS Name: 2-amino-2-tert-butyl-3,8-dioxo-4-(phenethylamino)octanoic acid IUPAC Name: 2-amino-2-tert-butyl-3,8-dioxo-4-(phenethylamino)octanoic acid Traditional Name: 2-amino-2-tert-butyl-3,8-diketo-4-(phenethylamino)caprylic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C(CCCC=O)NCCC1=CC=CC=C1)(C(=O)O)N

Isomeric SMILES

CC(C)(C)C(C(=O)C(CCCC=O)NCCC1=CC=CC=C1)(C(=O)O)N

InChI

InChI=1S/C20H30N2O4/c1-19(2,3)20(21,18(25)26)17(24)16(11-7-8-14-23)22-13-12-15-9-5-4-6-10-15/h4-6,9-10,14,16,22H,7-8,11-13,21H2,1-3H3,(H,25,26)