(2S)-2-ethyl-N-[3-[[(2R)-2-ethylhexanoyl]amino]-4-nitro-phenyl]hexanamide

Systemtic Name: (2S)-2-ethyl-N-[3-[[(2R)-2-ethylhexanoyl]amino]-4-nitro-phenyl]hexanamide Openeye Name: (2S)-2-ethyl-N-[3-[[(2R)-2-ethylhexanoyl]amino]-4-nitro-phenyl]hexanamide CAS Name: (2S)-2-ethyl-N-[3-[[(2R)-2-ethyl-1-oxohexyl]amino]-4-nitrophenyl]hexanamide IUPAC Name: (2S)-2-ethyl-N-[3-[[(2R)-2-ethylhexanoyl]amino]-4-nitrophenyl]hexanamide Traditional Name: (2S)-2-ethyl-N-[3-[[(2R)-2-ethylhexanoyl]amino]-4-nitro-phenyl]hexanamide Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)C(CC)CCCC

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC)CCCC

InChI

InChI=1S/C22H35N3O4/c1-5-9-11-16(7-3)21(26)23-18-13-14-20(25(28)29)19(15-18)24-22(27)17(8-4)12-10-6-2/h13-17H,5-12H2,1-4H3,(H,23,26)(H,24,27)/t16-,17+/m0/s1