2-(11-ethylsulfanylundecanoylamino)-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-(11-ethylsulfanylundecanoylamino)-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(1-benzylimidazol-4-yl)-2-(11-ethylsulfanylundecanoylamino)propanoic acid CAS Name: 2-[[11-(ethylthio)-1-oxoundecyl]amino]-3-[1-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(1-benzylimidazol-4-yl)-2-(11-ethylsulfanylundecanoylamino)propanoic acid Traditional Name: 3-(1-benzylimidazol-4-yl)-2-[11-(ethylthio)undecanoylamino]propionic acid Formula: C26H39N3O3S MolecularWeight: 473.67116

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCCCCCCCCC(=O)NC(CC1=CN(C=N1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCSCCCCCCCCCCC(=O)NC(CC1=CN(C=N1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H39N3O3S/c1-2-33-17-13-8-6-4-3-5-7-12-16-25(30)28-24(26(31)32)18-23-20-29(21-27-23)19-22-14-10-9-11-15-22/h9-11,14-15,20-21,24H,2-8,12-13,16-19H2,1H3,(H,28,30)(H,31,32)