3-(2-methylpropylcarbamoylamino)-2-(2-nitro-4-phenyl-phenyl)-6-oxidanylidene-6-phenylmethoxy-hexanoic acid

Systemtic Name: 3-(2-methylpropylcarbamoylamino)-2-(2-nitro-4-phenyl-phenyl)-6-oxidanylidene-6-phenylmethoxy-hexanoic acid Openeye Name: 6-benzyloxy-3-(isobutylcarbamoylamino)-2-(2-nitro-4-phenyl-phenyl)-6-oxo-hexanoic acid CAS Name: 3-[[(2-methylpropylamino)-oxomethyl]amino]-2-(2-nitro-4-phenylphenyl)-6-oxo-6-phenylmethoxyhexanoic acid IUPAC Name: 3-(2-methylpropylcarbamoylamino)-2-(2-nitro-4-phenylphenyl)-6-oxo-6-phenylmethoxyhexanoic acid Traditional Name: 6-benzoxy-3-(isobutylcarbamoylamino)-6-keto-2-(2-nitro-4-phenyl-phenyl)hexanoic acid Formula: C30H33N3O7 MolecularWeight: 547.59892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(C2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(C2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C30H33N3O7/c1-20(2)18-31-30(37)32-25(15-16-27(34)40-19-21-9-5-3-6-10-21)28(29(35)36)24-14-13-23(17-26(24)33(38)39)22-11-7-4-8-12-22/h3-14,17,20,25,28H,15-16,18-19H2,1-2H3,(H,35,36)(H2,31,32,37)