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3-(1H-imidazol-5-yl)-2-[3-(octanoylamino)propanoylamino]propanoic acid

3-(1H-imidazol-5-yl)-2-[3-(octanoylamino)propanoylamino]propanoic acid

Systemtic Name:3-(1H-imidazol-5-yl)-2-[3-(octanoylamino)propanoylamino]propanoic acid
Openeye Name:3-(1H-imidazol-5-yl)-2-[3-(octanoylamino)propanoylamino]propanoic acid
CAS Name:3-(1H-imidazol-5-yl)-2-[[1-oxo-3-(1-oxooctylamino)propyl]amino]propanoic acid
IUPAC Name:3-(1H-imidazol-5-yl)-2-[3-(octanoylamino)propanoylamino]propanoic acid
Traditional Name:2-[3-(caprylylamino)propanoylamino]-3-(1H-imidazol-5-yl)propionic acid
Formula: C17H28N4O4
MolecularWeight: 352.42862
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCC(=O)NC(CC1=CN=CN1)C(=O)O


Isomeric SMILES

CCCCCCCC(=O)NCCC(=O)NC(CC1=CN=CN1)C(=O)O


InChI

InChI=1S/C17H28N4O4/c1-2-3-4-5-6-7-15(22)19-9-8-16(23)21-14(17(24)25)10-13-11-18-12-20-13/h11-12,14H,2-10H2,1H3,(H,18,20)(H,19,22)(H,21,23)(H,24,25)


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