(phenylmethyl) (2S)-2-[[(2S,3R)-3-acetyloxy-2-azanyl-butanoyl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S,3R)-3-acetyloxy-2-azanyl-butanoyl]-methyl-amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[(2S,3R)-3-acetoxy-2-amino-butanoyl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S,3R)-3-acetyloxy-2-amino-1-oxobutyl]-methylamino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S,3R)-3-acetyloxy-2-aminobutanoyl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S,3R)-3-acetoxy-2-amino-butanoyl]-methyl-amino]-3-methyl-butyric acid benzyl ester Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)N(C)C(=O)C(C(C)OC(=O)C)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)OCC1=CC=CC=C1)N)OC(=O)C

InChI

InChI=1S/C19H28N2O5/c1-12(2)17(19(24)25-11-15-9-7-6-8-10-15)21(5)18(23)16(20)13(3)26-14(4)22/h6-10,12-13,16-17H,11,20H2,1-5H3/t13-,16+,17+/m1/s1