2-oxidanylpropane-1,2,3-tricarboxylic acid; (phenylmethyl) 3-methyl-2-[3-phenylpropyl(pyrrolidin-2-ylcarbonyl)amino]pentanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; (phenylmethyl) 3-methyl-2-[3-phenylpropyl(pyrrolidin-2-ylcarbonyl)amino]pentanoate Openeye Name: benzyl 3-methyl-2-[3-phenylpropyl(pyrrolidine-2-carbonyl)amino]pentanoate; citric acid CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-methyl-2-[[oxo(2-pyrrolidinyl)methyl]-(3-phenylpropyl)amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[3-phenylpropyl(pyrrolidine-2-carbonyl)amino]pentanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-methyl-2-[3-phenylpropyl(prolyl)amino]valeric acid benzyl ester Formula: C33H44N2O10 MolecularWeight: 628.70986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1=CC=CC=C1)N(CCCC2=CC=CC=C2)C(=O)C3CCCN3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCC(C)C(C(=O)OCC1=CC=CC=C1)N(CCCC2=CC=CC=C2)C(=O)C3CCCN3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C27H36N2O3.C6H8O7/c1-3-21(2)25(27(31)32-20-23-14-8-5-9-15-23)29(26(30)24-17-10-18-28-24)19-11-16-22-12-6-4-7-13-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9,12-15,21,24-25,28H,3,10-11,16-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)