2-(pentanoylamino)-3-(4-phenylmethoxycarbonyloxyphenyl)propanoic acid

Systemtic Name: 2-(pentanoylamino)-3-(4-phenylmethoxycarbonyloxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxycarbonyloxyphenyl)-2-(pentanoylamino)propanoic acid CAS Name: 2-(1-oxopentylamino)-3-(4-phenylmethoxycarbonyloxyphenyl)propanoic acid IUPAC Name: 2-(pentanoylamino)-3-(4-phenylmethoxycarbonyloxyphenyl)propanoic acid Traditional Name: 3-(4-carbobenzoxyoxyphenyl)-2-(valerylamino)propionic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC(=O)NC(CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H25NO6/c1-2-3-9-20(24)23-19(21(25)26)14-16-10-12-18(13-11-16)29-22(27)28-15-17-7-5-4-6-8-17/h4-8,10-13,19H,2-3,9,14-15H2,1H3,(H,23,24)(H,25,26)