2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(CS)C(=O)NC(CC3=CN=CN3)C(=O)O)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C(CS)C(=O)NC(CC3=CN=CN3)C(=O)O)C=CC(=C2)Br

InChI

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