3-[(4-bromophenyl)methylcarbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[(4-bromophenyl)methylcarbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(4-bromophenyl)methylcarbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[(4-bromophenyl)methylamino]-oxomethyl]amino]-2-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(4-bromophenyl)methylcarbamoylamino]-2-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[(4-bromobenzyl)carbamoylamino]-2-[(1-nosylprolyl)amino]propionic acid Formula: C22H24BrN5O8S MolecularWeight: 598.42366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CNC(=O)NCC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(CNC(=O)NCC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H24BrN5O8S/c23-15-5-3-14(4-6-15)12-24-22(32)25-13-18(21(30)31)26-20(29)19-2-1-11-27(19)37(35,36)17-9-7-16(8-10-17)28(33)34/h3-10,18-19H,1-2,11-13H2,(H,26,29)(H,30,31)(H2,24,25,32)