3-[(phenylmethyl)carbamoylamino]-2-[[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[(phenylmethyl)carbamoylamino]-2-[[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(benzylcarbamoylamino)-2-[(1-benzylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid CAS Name: 3-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-[[oxo-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(benzylcarbamoylamino)-2-[(1-benzylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-(benzylcarbamoylamino)-2-[(1-benzylsulfonylprolyl)amino]propionic acid Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC(CNC(=O)NCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC(CNC(=O)NCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28N4O6S/c28-21(20-12-7-13-27(20)34(32,33)16-18-10-5-2-6-11-18)26-19(22(29)30)15-25-23(31)24-14-17-8-3-1-4-9-17/h1-6,8-11,19-20H,7,12-16H2,(H,26,28)(H,29,30)(H2,24,25,31)