(2S)-2-(pentanoylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-(pentanoylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(pentanoylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: (2S)-2-(1-oxopentylamino)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(pentanoylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: (2S)-3-[4-[4-(4-piperidyl)butoxy]phenyl]-2-(valerylamino)propionic acid Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

Isomeric SMILES

CCCCC(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

InChI

InChI=1S/C23H36N2O4/c1-2-3-7-22(26)25-21(23(27)28)17-19-8-10-20(11-9-19)29-16-5-4-6-18-12-14-24-15-13-18/h8-11,18,21,24H,2-7,12-17H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1