(4-propan-2-ylphenyl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: (4-isopropylphenyl)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-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)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-isopropylbenzyl) ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO3/c1-18(2)21-14-12-20(13-15-21)17-31-27(30)26(19(3)4)28-25(29)16-23-10-7-9-22-8-5-6-11-24(22)23/h5-15,18-19,26H,16-17H2,1-4H3,(H,28,29)/t26-/m0/s1