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(2S)-6-[(5-methyl-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

(2S)-6-[(5-methyl-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Systemtic Name:(2S)-6-[(5-methyl-2-nitro-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Openeye Name:(2S)-2-(tert-butoxycarbonylamino)-6-(5-methyl-2-nitro-anilino)hexanoic acid
CAS Name:(2S)-6-(5-methyl-2-nitroanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid
IUPAC Name:(2S)-6-(5-methyl-2-nitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Traditional Name:(2S)-2-(tert-butoxycarbonylamino)-6-(5-methyl-2-nitro-anilino)hexanoic acid
Formula: C18H27N3O6
MolecularWeight: 381.42348
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCCCC(C(=O)O)NC(=O)OC(C)(C)C


Isomeric SMILES

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


InChI

InChI=1S/C18H27N3O6/c1-12-8-9-15(21(25)26)14(11-12)19-10-6-5-7-13(16(22)23)20-17(24)27-18(2,3)4/h8-9,11,13,19H,5-7,10H2,1-4H3,(H,20,24)(H,22,23)/t13-/m0/s1


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