1-[2-[[1-ethoxy-1-oxidanylidene-6-(1-phenylmethoxycarbonylpiperidin-4-yl)hexan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[1-ethoxy-1-oxidanylidene-6-(1-phenylmethoxycarbonylpiperidin-4-yl)hexan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[5-(1-benzyloxycarbonyl-4-piperidyl)-1-ethoxycarbonyl-pentyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[1-ethoxy-1-oxo-6-(1-phenylmethoxycarbonyl-4-piperidinyl)hexan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[1-ethoxy-1-oxo-6-(1-phenylmethoxycarbonylpiperidin-4-yl)hexan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-carbethoxy-5-(1-carbobenzoxy-4-piperidyl)pentyl]amino]propanoyl]proline Formula: C29H43N3O7 MolecularWeight: 545.66762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(C)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)NC(C)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C29H43N3O7/c1-3-38-28(36)24(30-21(2)26(33)32-17-9-14-25(32)27(34)35)13-8-7-10-22-15-18-31(19-16-22)29(37)39-20-23-11-5-4-6-12-23/h4-6,11-12,21-22,24-25,30H,3,7-10,13-20H2,1-2H3,(H,34,35)