(2S)-2-[(2-ethyl-2-methyl-hexanoyl)amino]-3-[4-[(2-methyl-5-nitro-phenyl)carbonylamino]phenyl]propanoic acid

Systemtic Name: (2S)-2-[(2-ethyl-2-methyl-hexanoyl)amino]-3-[4-[(2-methyl-5-nitro-phenyl)carbonylamino]phenyl]propanoic acid Openeye Name: (2S)-2-[(2-ethyl-2-methyl-hexanoyl)amino]-3-[4-[(2-methyl-5-nitro-benzoyl)amino]phenyl]propanoic acid CAS Name: (2S)-2-[(2-ethyl-2-methyl-1-oxohexyl)amino]-3-[4-[[(2-methyl-5-nitrophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-[(2-ethyl-2-methylhexanoyl)amino]-3-[4-[(2-methyl-5-nitrobenzoyl)amino]phenyl]propanoic acid Traditional Name: (2S)-2-[(2-ethyl-2-methyl-hexanoyl)amino]-3-[4-[(2-methyl-5-nitro-benzoyl)amino]phenyl]propionic acid Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)C(=O)O

Isomeric SMILES

CCCCC(C)(CC)C(=O)N[C@@H](CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C)C(=O)O

InChI

InChI=1S/C26H33N3O6/c1-5-7-14-26(4,6-2)25(33)28-22(24(31)32)15-18-9-11-19(12-10-18)27-23(30)21-16-20(29(34)35)13-8-17(21)3/h8-13,16,22H,5-7,14-15H2,1-4H3,(H,27,30)(H,28,33)(H,31,32)/t22-,26?/m0/s1