1-[2-[[1-ethoxy-1-oxidanylidene-7-(1-phenylmethoxycarbonylpiperidin-4-yl)heptan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-ethoxy-1-oxidanylidene-7-(1-phenylmethoxycarbonylpiperidin-4-yl)heptan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[6-(1-benzyloxycarbonyl-4-piperidyl)-1-ethoxycarbonyl-hexyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[1-ethoxy-1-oxo-7-(1-phenylmethoxycarbonyl-4-piperidinyl)heptan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-ethoxy-1-oxo-7-(1-phenylmethoxycarbonylpiperidin-4-yl)heptan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-carbethoxy-6-(1-carbobenzoxy-4-piperidyl)hexyl]amino]propanoyl]proline Formula: C30H45N3O7 MolecularWeight: 559.6942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(C)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(C)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C30H45N3O7/c1-3-39-29(37)25(31-22(2)27(34)33-18-10-15-26(33)28(35)36)14-9-5-6-11-23-16-19-32(20-17-23)30(38)40-21-24-12-7-4-8-13-24/h4,7-8,12-13,22-23,25-26,31H,3,5-6,9-11,14-21H2,1-2H3,(H,35,36)