(2S)-2-(hexanoylamino)-3-[4-(5-piperidin-4-ylpentyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-(hexanoylamino)-3-[4-(5-piperidin-4-ylpentyl)phenyl]propanoic acid Openeye Name: (2S)-2-(hexanoylamino)-3-[4-[5-(4-piperidyl)pentyl]phenyl]propanoic acid CAS Name: (2S)-2-(1-oxohexylamino)-3-[4-[5-(4-piperidinyl)pentyl]phenyl]propanoic acid IUPAC Name: (2S)-2-(hexanoylamino)-3-[4-(5-piperidin-4-ylpentyl)phenyl]propanoic acid Traditional Name: (2S)-2-(caproylamino)-3-[4-[5-(4-piperidyl)pentyl]phenyl]propionic acid Formula: C25H40N2O3 MolecularWeight: 416.5967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CC1=CC=C(C=C1)CCCCCC2CCNCC2)C(=O)O

Isomeric SMILES

CCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)CCCCCC2CCNCC2)C(=O)O

InChI

InChI=1S/C25H40N2O3/c1-2-3-5-10-24(28)27-23(25(29)30)19-22-13-11-20(12-14-22)8-6-4-7-9-21-15-17-26-18-16-21/h11-14,21,23,26H,2-10,15-19H2,1H3,(H,27,28)(H,29,30)/t23-/m0/s1