tert-butyl (2S)-2-(4-methylpentanoylamino)-5-phenyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-(4-methylpentanoylamino)-5-phenyl-pentanoate Openeye Name: tert-butyl (2S)-2-(4-methylpentanoylamino)-5-phenyl-pentanoate CAS Name: (2S)-2-[(4-methyl-1-oxopentyl)amino]-5-phenylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(4-methylpentanoylamino)-5-phenylpentanoate Traditional Name: (2S)-2-(4-methylpentanoylamino)-5-phenyl-valeric acid tert-butyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(CCCC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCC(=O)N[C@@H](CCCC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO3/c1-16(2)14-15-19(23)22-18(20(24)25-21(3,4)5)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,16,18H,9,12-15H2,1-5H3,(H,22,23)/t18-/m0/s1