(2S)-2-[[(2S)-1-(4-bromanyl-5-chloranyl-thiophen-2-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-(4-bromanyl-5-chloranyl-thiophen-2-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-1-[(4-bromo-5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: (2S)-2-[[[(2S)-1-[(4-bromo-5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-1-[(4-bromo-5-chloro-2-thienyl)sulfonyl]prolyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C18H17BrClFN2O5S2 MolecularWeight: 539.823383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC(=C(S2)Cl)Br)C(=O)NC(CC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC(=C(S2)Cl)Br)C(=O)N[C@@H](CC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C18H17BrClFN2O5S2/c19-12-9-15(29-16(12)20)30(27,28)23-7-1-2-14(23)17(24)22-13(18(25)26)8-10-3-5-11(21)6-4-10/h3-6,9,13-14H,1-2,7-8H2,(H,22,24)(H,25,26)/t13-,14-/m0/s1