(phenylmethyl) (2S)-2-[[(2R)-2-azanyl-2-methyl-3-(4-nitrophenyl)propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R)-2-azanyl-2-methyl-3-(4-nitrophenyl)propanoyl]amino]propanoate Openeye Name: benzyl (2S)-2-[[(2R)-2-amino-2-methyl-3-(4-nitrophenyl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2R)-2-amino-2-methyl-3-(4-nitrophenyl)-1-oxopropyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R)-2-amino-2-methyl-3-(4-nitrophenyl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2R)-2-amino-2-methyl-3-(4-nitrophenyl)propanoyl]amino]propionic acid benzyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)(CC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@](C)(CC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C20H23N3O5/c1-14(18(24)28-13-16-6-4-3-5-7-16)22-19(25)20(2,21)12-15-8-10-17(11-9-15)23(26)27/h3-11,14H,12-13,21H2,1-2H3,(H,22,25)/t14-,20+/m0/s1