2-azanyl-3-methyl-butanoic acid; 14-propan-2-yl-12-oxa-15-azabicyclo[12.1.0]pentadecan-13-one

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; 14-propan-2-yl-12-oxa-15-azabicyclo[12.1.0]pentadecan-13-one Openeye Name: 2-amino-3-methyl-butanoic acid; 14-isopropyl-12-oxa-15-azabicyclo[12.1.0]pentadecan-13-one CAS Name: 2-amino-3-methylbutanoic acid; 14-propan-2-yl-12-oxa-15-azabicyclo[12.1.0]pentadecan-13-one IUPAC Name: 2-amino-3-methylbutanoic acid; 14-propan-2-yl-12-oxa-15-azabicyclo[12.1.0]pentadecan-13-one Traditional Name: 2-amino-3-methyl-butyric acid; 14-isopropyl-12-oxa-15-azabicyclo[12.1.0]pentadecan-13-one Formula: C21H40N2O4 MolecularWeight: 384.5533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N.CC(C)C12C(N1)CCCCCCCCCCOC2=O

Isomeric SMILES

CC(C)C(C(=O)O)N.CC(C)C12C(N1)CCCCCCCCCCOC2=O

InChI

InChI=1S/C16H29NO2.C5H11NO2/c1-13(2)16-14(17-16)11-9-7-5-3-4-6-8-10-12-19-15(16)18;1-3(2)4(6)5(7)8/h13-14,17H,3-12H2,1-2H3;3-4H,6H2,1-2H3,(H,7,8)