tert-butyl (2S)-2-[[(2R)-2-acetyloxy-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2R)-2-acetyloxy-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2R)-2-acetoxy-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-acetyloxy-1-oxo-3-phenylpropyl]-methylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R)-2-acetyloxy-3-phenylpropanoyl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R)-2-acetoxy-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butyric acid tert-butyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)N(C)C(=O)C(CC1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@H](CC1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C21H31NO5/c1-14(2)18(20(25)27-21(4,5)6)22(7)19(24)17(26-15(3)23)13-16-11-9-8-10-12-16/h8-12,14,17-18H,13H2,1-7H3/t17-,18+/m1/s1