3-oxidanylidene-2-phenylmethoxycarbonyl-1-propanoyl-4-propyl-4-pyridin-2-yl-5-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-phenylmethoxycarbonyl-1-propanoyl-4-propyl-4-pyridin-2-yl-5-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-3-oxo-1-propanoyl-4-propyl-4-(2-pyridyl)-5-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid CAS Name: 3-oxo-1-(1-oxopropyl)-2-phenylmethoxycarbonyl-4-propyl-4-(2-pyridinyl)-5-(1-pyrrolidinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-oxo-2-phenylmethoxycarbonyl-1-propanoyl-4-propyl-4-pyridin-2-yl-5-pyrrolidin-1-ylpyrrolidine-2-carboxylic acid Traditional Name: 2-carbobenzoxy-3-keto-1-propionyl-4-propyl-4-(2-pyridyl)-5-pyrrolidino-proline Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(N(C(C1=O)(C(=O)O)C(=O)OCC2=CC=CC=C2)C(=O)CC)N3CCCC3)C4=CC=CC=N4

Isomeric SMILES

CCCC1(C(N(C(C1=O)(C(=O)O)C(=O)OCC2=CC=CC=C2)C(=O)CC)N3CCCC3)C4=CC=CC=N4

InChI

InChI=1S/C28H33N3O6/c1-3-15-27(21-14-8-9-16-29-21)23(33)28(25(34)35,26(36)37-19-20-12-6-5-7-13-20)31(22(32)4-2)24(27)30-17-10-11-18-30/h5-9,12-14,16,24H,3-4,10-11,15,17-19H2,1-2H3,(H,34,35)