methyl (2S)-1-[(2S)-2-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-2-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-[[2-(4-bromo-2-formyl-phenoxy)acetyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[2-(4-bromo-2-formylphenoxy)-1-oxoethyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[2-(4-bromo-2-formyl-phenoxy)acetyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H27BrN2O6 MolecularWeight: 483.35288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)OC)NC(=O)COC2=C(C=C(C=C2)Br)C=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)COC2=C(C=C(C=C2)Br)C=O

InChI

InChI=1S/C21H27BrN2O6/c1-13(2)9-16(20(27)24-8-4-5-17(24)21(28)29-3)23-19(26)12-30-18-7-6-15(22)10-14(18)11-25/h6-7,10-11,13,16-17H,4-5,8-9,12H2,1-3H3,(H,23,26)/t16-,17-/m0/s1