2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]ethanoic acid Openeye Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[(2S)-2-carbamoylpyrrolidin-1-yl]acetic acid CAS Name: 2-[5-bromo-1-(carboxymethyl)-3-indolyl]-2-[(2S)-2-carbamoyl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[(2S)-2-carbamoylpyrrolidin-1-yl]acetic acid Traditional Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[(2S)-2-carbamoylpyrrolidino]acetic acid Formula: C17H18BrN3O5 MolecularWeight: 424.24592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C17H18BrN3O5/c18-9-3-4-12-10(6-9)11(7-20(12)8-14(22)23)15(17(25)26)21-5-1-2-13(21)16(19)24/h3-4,6-7,13,15H,1-2,5,8H2,(H2,19,24)(H,22,23)(H,25,26)/t13-,15?/m0/s1