3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-(phenylmethoxycarbonylamino)propoxy]propanoic acid

Systemtic Name: 3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-(phenylmethoxycarbonylamino)propoxy]propanoic acid Openeye Name: 3-[2-(benzyloxycarbonylamino)-3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)propoxy]propanoic acid CAS Name: 3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-(phenylmethoxycarbonylamino)propoxy]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)-2-(phenylmethoxycarbonylamino)propoxy]propanoic acid Traditional Name: 3-[2-(benzyloxycarbonylamino)-3-(2-carboxyethyloxy)-2-(2-carboxyethyloxymethyl)propoxy]propionic acid Formula: C21H29NO11 MolecularWeight: 471.45506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O

InChI

InChI=1S/C21H29NO11/c23-17(24)6-9-30-13-21(14-31-10-7-18(25)26,15-32-11-8-19(27)28)22-20(29)33-12-16-4-2-1-3-5-16/h1-5H,6-15H2,(H,22,29)(H,23,24)(H,25,26)(H,27,28)