6-(4-naphthalen-2-ylbutanoylamino)oxy-6-oxidanylidene-5-[[1-(phenylmethyl)indol-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-(4-naphthalen-2-ylbutanoylamino)oxy-6-oxidanylidene-5-[[1-(phenylmethyl)indol-2-yl]carbonylamino]hexanoic acid Openeye Name: 5-[(1-benzylindole-2-carbonyl)amino]-6-[4-(2-naphthyl)butanoylamino]oxy-6-oxo-hexanoic acid CAS Name: 6-[[4-(2-naphthalenyl)-1-oxobutyl]amino]oxy-6-oxo-5-[[oxo-[1-(phenylmethyl)-2-indolyl]methyl]amino]hexanoic acid IUPAC Name: 5-[(1-benzylindole-2-carbonyl)amino]-6-(4-naphthalen-2-ylbutanoylamino)oxy-6-oxohexanoic acid Traditional Name: 5-[(1-benzylindole-2-carbonyl)amino]-6-keto-6-[4-(2-naphthyl)butanoylamino]oxy-hexanoic acid Formula: C36H35N3O6 MolecularWeight: 605.6796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C(=O)NC(CCCC(=O)O)C(=O)ONC(=O)CCCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C(=O)NC(CCCC(=O)O)C(=O)ONC(=O)CCCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C36H35N3O6/c40-33(18-8-12-25-20-21-27-13-4-5-14-28(27)22-25)38-45-36(44)30(16-9-19-34(41)42)37-35(43)32-23-29-15-6-7-17-31(29)39(32)24-26-10-2-1-3-11-26/h1-7,10-11,13-15,17,20-23,30H,8-9,12,16,18-19,24H2,(H,37,43)(H,38,40)(H,41,42)