[(1S,2S)-2-[[(2S)-4-acetyloxy-2,4-dimethyl-pentanoyl]-methyl-amino]-1-phenyl-propyl] ethanoate

Systemtic Name: [(1S,2S)-2-[[(2S)-4-acetyloxy-2,4-dimethyl-pentanoyl]-methyl-amino]-1-phenyl-propyl] ethanoate Openeye Name: [(1S,2S)-2-[[(2S)-4-acetoxy-2,4-dimethyl-pentanoyl]-methyl-amino]-1-phenyl-propyl] acetate CAS Name: acetic acid [(1S,2S)-2-[[(2S)-4-acetyloxy-2,4-dimethyl-1-oxopentyl]-methylamino]-1-phenylpropyl] ester IUPAC Name: [(1S,2S)-2-[[(2S)-4-acetyloxy-2,4-dimethylpentanoyl]-methylamino]-1-phenylpropyl] acetate Traditional Name: acetic acid [(1S,2S)-2-[[(2S)-4-acetoxy-2,4-dimethyl-pentanoyl]-methyl-amino]-1-phenyl-propyl] ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-14(13-21(5,6)27-17(4)24)20(25)22(7)15(2)19(26-16(3)23)18-11-9-8-10-12-18/h8-12,14-15,19H,13H2,1-7H3/t14-,15-,19+/m0/s1