tert-butyl (2R)-2-[[(2S)-2-acetyloxy-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2R)-2-[[(2S)-2-acetyloxy-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2R)-2-[[(2S)-2-acetoxy-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[(2S)-2-acetyloxy-3-methyl-1-oxobutyl]-methylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[(2S)-2-acetyloxy-3-methylbutanoyl]-methylamino]-3-phenylpropanoate Traditional Name: (2R)-2-[[(2S)-2-acetoxy-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propionic acid tert-butyl ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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