2-(heptanoylamino)-3-phenylmethoxy-pentanoic acid

Systemtic Name: 2-(heptanoylamino)-3-phenylmethoxy-pentanoic acid Openeye Name: 3-benzyloxy-2-(heptanoylamino)pentanoic acid CAS Name: 2-(1-oxoheptylamino)-3-phenylmethoxypentanoic acid IUPAC Name: 2-(heptanoylamino)-3-phenylmethoxypentanoic acid Traditional Name: 3-benzoxy-2-(enanthylamino)valeric acid Formula: C19H29NO4 MolecularWeight: 335.43786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(C(CC)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCC(=O)NC(C(CC)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C19H29NO4/c1-3-5-6-10-13-17(21)20-18(19(22)23)16(4-2)24-14-15-11-8-7-9-12-15/h7-9,11-12,16,18H,3-6,10,13-14H2,1-2H3,(H,20,21)(H,22,23)