2-[2-[(3-bromanyl-4-methyl-pentanoyl)amino]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[(3-bromanyl-4-methyl-pentanoyl)amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(3-bromo-4-methyl-pentanoyl)amino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(3-bromo-4-methyl-1-oxopentyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(3-bromo-4-methylpentanoyl)amino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(3-bromo-4-methyl-pentanoyl)amino]acetyl]amino]-3-phenyl-propionic acid Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)O)Br

Isomeric SMILES

CC(C)C(CC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)O)Br

InChI

InChI=1S/C17H23BrN2O4/c1-11(2)13(18)9-15(21)19-10-16(22)20-14(17(23)24)8-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)