3-[[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-5-nitro-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-5-nitro-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-[6-(tert-butoxycarbonylamino)hexanoylamino]-5-nitro-benzoyl]amino]propanoic acid CAS Name: 3-[[[3-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-5-nitrophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-5-nitrobenzoyl]amino]propanoic acid Traditional Name: 3-[[3-[6-(tert-butoxycarbonylamino)hexanoylamino]-5-nitro-benzoyl]amino]propionic acid Formula: C21H30N4O8 MolecularWeight: 466.4849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)NC1=CC(=CC(=C1)C(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O8/c1-21(2,3)33-20(30)23-9-6-4-5-7-17(26)24-15-11-14(12-16(13-15)25(31)32)19(29)22-10-8-18(27)28/h11-13H,4-10H2,1-3H3,(H,22,29)(H,23,30)(H,24,26)(H,27,28)