2-azanyl-3-[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-1-(3-sulfanylpropanoyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-1-(3-sulfanylpropanoyl)imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[2-(5-bromoindan-1-yl)-1-(3-sulfanylpropanoyl)imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-(3-mercapto-1-oxopropyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-(3-sulfanylpropanoyl)imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[2-(5-bromoindan-1-yl)-1-(3-mercaptopropanoyl)imidazol-4-yl]propionic acid Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C3=NC(=CN3C(=O)CCS)CC(C(=O)O)N)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C3=NC(=CN3C(=O)CCS)CC(C(=O)O)N)C=CC(=C2)Br

InChI

InChI=1S/C18H20BrN3O3S/c19-11-2-4-13-10(7-11)1-3-14(13)17-21-12(8-15(20)18(24)25)9-22(17)16(23)5-6-26/h2,4,7,9,14-15,26H,1,3,5-6,8,20H2,(H,24,25)