(phenylmethyl) (2S,3S)-3-methyl-2-[[2-methyl-2-(2-nitrophenyl)propanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) (2S,3S)-3-methyl-2-[[2-methyl-2-(2-nitrophenyl)propanoyl]amino]pentanoate Openeye Name: benzyl (2S,3S)-3-methyl-2-[[2-methyl-2-(2-nitrophenyl)propanoyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[2-methyl-2-(2-nitrophenyl)-1-oxopropyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-methyl-2-[[2-methyl-2-(2-nitrophenyl)propanoyl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-methyl-2-(2-nitrophenyl)propanoyl]amino]valeric acid benzyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-5-16(2)20(21(26)30-15-17-11-7-6-8-12-17)24-22(27)23(3,4)18-13-9-10-14-19(18)25(28)29/h6-14,16,20H,5,15H2,1-4H3,(H,24,27)/t16-,20-/m0/s1