(phenylmethyl) (2S)-2-[[(4S)-4-azanyl-2,2-dimethyl-3-oxidanylidene-pentanoyl]-methyl-amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(4S)-4-azanyl-2,2-dimethyl-3-oxidanylidene-pentanoyl]-methyl-amino]propanoate Openeye Name: benzyl (2S)-2-[[(4S)-4-amino-2,2-dimethyl-3-oxo-pentanoyl]-methyl-amino]propanoate CAS Name: (2S)-2-[[(4S)-4-amino-2,2-dimethyl-1,3-dioxopentyl]-methylamino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(4S)-4-amino-2,2-dimethyl-3-oxopentanoyl]-methylamino]propanoate Traditional Name: (2S)-2-[[(4S)-4-amino-3-keto-2,2-dimethyl-pentanoyl]-methyl-amino]propionic acid benzyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-12(19)15(21)18(3,4)17(23)20(5)13(2)16(22)24-11-14-9-7-6-8-10-14/h6-10,12-13H,11,19H2,1-5H3/t12-,13-/m0/s1