(4-tert-butylphenyl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: (4-tert-butylphenyl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: (4-tert-butylphenyl)methyl (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid (4-tert-butylbenzyl) ester Formula: C28H33NO3 MolecularWeight: 431.56652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(C)(C)C)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)C(C)(C)C)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C28H33NO3/c1-19(2)26(27(31)32-18-20-13-15-23(16-14-20)28(3,4)5)29-25(30)17-22-11-8-10-21-9-6-7-12-24(21)22/h6-16,19,26H,17-18H2,1-5H3,(H,29,30)/t26-/m0/s1