7-azulen-1-yl-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]heptanoic acid

Systemtic Name: 7-azulen-1-yl-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]heptanoic acid Openeye Name: 7-azulen-1-yl-3-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]heptanoic acid CAS Name: 7-(1-azulenyl)-3-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]heptanoic acid IUPAC Name: 7-azulen-1-yl-3-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]heptanoic acid Traditional Name: 7-azulen-1-yl-3-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]enanthic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCC2=C3C=CC=CC=C3C=C2)CC(=O)O

Isomeric SMILES

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCC2=C3C=CC=CC=C3C=C2)CC(=O)O

InChI

InChI=1S/C28H32N2O4/c1-29-28(34)25(18-20-10-4-2-5-11-20)30-27(33)23(19-26(31)32)14-9-8-13-22-17-16-21-12-6-3-7-15-24(21)22/h2-7,10-12,15-17,23,25H,8-9,13-14,18-19H2,1H3,(H,29,34)(H,30,33)(H,31,32)