2-(3-bromanylnaphthalen-2-yl)-3-(2-methylpropylcarbamoylamino)-6-oxidanylidene-6-phenylmethoxy-hexanoic acid

Systemtic Name: 2-(3-bromanylnaphthalen-2-yl)-3-(2-methylpropylcarbamoylamino)-6-oxidanylidene-6-phenylmethoxy-hexanoic acid Openeye Name: 6-benzyloxy-2-(3-bromo-2-naphthyl)-3-(isobutylcarbamoylamino)-6-oxo-hexanoic acid CAS Name: 2-(3-bromo-2-naphthalenyl)-3-[[(2-methylpropylamino)-oxomethyl]amino]-6-oxo-6-phenylmethoxyhexanoic acid IUPAC Name: 2-(3-bromonaphthalen-2-yl)-3-(2-methylpropylcarbamoylamino)-6-oxo-6-phenylmethoxyhexanoic acid Traditional Name: 6-benzoxy-2-(3-bromo-2-naphthyl)-3-(isobutylcarbamoylamino)-6-keto-hexanoic acid Formula: C28H31BrN2O5 MolecularWeight: 555.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(C2=CC3=CC=CC=C3C=C2Br)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(C2=CC3=CC=CC=C3C=C2Br)C(=O)O

InChI

InChI=1S/C28H31BrN2O5/c1-18(2)16-30-28(35)31-24(12-13-25(32)36-17-19-8-4-3-5-9-19)26(27(33)34)22-14-20-10-6-7-11-21(20)15-23(22)29/h3-11,14-15,18,24,26H,12-13,16-17H2,1-2H3,(H,33,34)(H2,30,31,35)