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(2S)-3-[4-(6-azanylhexoxy)phenyl]-2-(hexanoylamino)propanoic acid

(2S)-3-[4-(6-azanylhexoxy)phenyl]-2-(hexanoylamino)propanoic acid

Systemtic Name:(2S)-3-[4-(6-azanylhexoxy)phenyl]-2-(hexanoylamino)propanoic acid
Openeye Name:(2S)-3-[4-(6-aminohexoxy)phenyl]-2-(hexanoylamino)propanoic acid
CAS Name:(2S)-3-[4-(6-aminohexoxy)phenyl]-2-(1-oxohexylamino)propanoic acid
IUPAC Name:(2S)-3-[4-(6-aminohexoxy)phenyl]-2-(hexanoylamino)propanoic acid
Traditional Name:(2S)-3-[4-(6-aminohexoxy)phenyl]-2-(caproylamino)propionic acid
Formula: C21H34N2O4
MolecularWeight: 378.50566
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H34N2O4/c1-2-3-6-9-20(24)23-19(21(25)26)16-17-10-12-18(13-11-17)27-15-8-5-4-7-14-22/h10-13,19H,2-9,14-16,22H2,1H3,(H,23,24)(H,25,26)/t19-/m0/s1


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