methyl (2S)-1-[(2S)-1-[(2S)-2-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-1-[(2S)-2-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-1-[(2S)-2-[[2-(4-bromo-2-formyl-phenoxy)acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[(2S)-1-[(2S)-2-[[2-(4-bromo-2-formylphenoxy)-1-oxoethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-1-[(2S)-2-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-1-[(2S)-2-[[2-(4-bromo-2-formyl-phenoxy)acetyl]amino]propanoyl]prolyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H28BrN3O7 MolecularWeight: 538.38832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Br)C=O

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Br)C=O

InChI

InChI=1S/C23H28BrN3O7/c1-14(25-20(29)13-34-19-8-7-16(24)11-15(19)12-28)21(30)26-9-3-5-17(26)22(31)27-10-4-6-18(27)23(32)33-2/h7-8,11-12,14,17-18H,3-6,9-10,13H2,1-2H3,(H,25,29)/t14-,17-,18-/m0/s1