2-(1-bromanylnaphthalen-2-yl)-2-[[2-carboxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid

Systemtic Name: 2-(1-bromanylnaphthalen-2-yl)-2-[[2-carboxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid Openeye Name: 2-(1-bromo-2-naphthyl)-2-[[2-carboxyethyl(isobutyl)carbamoyl]amino]propanoic acid CAS Name: 2-(1-bromo-2-naphthalenyl)-2-[[[2-carboxyethyl(2-methylpropyl)amino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(1-bromonaphthalen-2-yl)-2-[[2-carboxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid Traditional Name: 2-(1-bromo-2-naphthyl)-2-[[2-carboxyethyl(isobutyl)carbamoyl]amino]propionic acid Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)O)C(=O)NC(C)(C1=C(C2=CC=CC=C2C=C1)Br)C(=O)O

Isomeric SMILES

CC(C)CN(CCC(=O)O)C(=O)NC(C)(C1=C(C2=CC=CC=C2C=C1)Br)C(=O)O

InChI

InChI=1S/C21H25BrN2O5/c1-13(2)12-24(11-10-17(25)26)20(29)23-21(3,19(27)28)16-9-8-14-6-4-5-7-15(14)18(16)22/h4-9,13H,10-12H2,1-3H3,(H,23,29)(H,25,26)(H,27,28)