2-azanyl-3-methyl-2-[(3,4,5-trioctadecoxyphenyl)methyl]butanoic acid

Systemtic Name: 2-azanyl-3-methyl-2-[(3,4,5-trioctadecoxyphenyl)methyl]butanoic acid Openeye Name: 2-amino-3-methyl-2-[(3,4,5-trioctadecoxyphenyl)methyl]butanoic acid CAS Name: 2-amino-3-methyl-2-[(3,4,5-trioctadecoxyphenyl)methyl]butanoic acid IUPAC Name: 2-amino-3-methyl-2-[(3,4,5-trioctadecoxyphenyl)methyl]butanoic acid Traditional Name: 2-amino-3-methyl-2-(3,4,5-tristearyloxybenzyl)butyric acid Formula: C66H125NO5 MolecularWeight: 1012.7024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)CC(C(C)C)(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)CC(C(C)C)(C(=O)O)N

InChI

InChI=1S/C66H125NO5/c1-6-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-70-62-57-61(59-66(67,60(4)5)65(68)69)58-63(71-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-2)64(62)72-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-3/h57-58,60H,6-56,59,67H2,1-5H3,(H,68,69)