3-[methyl(prop-2-enoxy)carbamoyl]-5-[[(2S)-1-prop-2-enoxycarbonyl-4-sulfonyl-pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[methyl(prop-2-enoxy)carbamoyl]-5-[[(2S)-1-prop-2-enoxycarbonyl-4-sulfonyl-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[(2S)-1-allyloxycarbonyl-4-sulfonyl-pyrrolidine-2-carbonyl]amino]-5-[allyloxy(methyl)carbamoyl]benzoic acid CAS Name: 3-[[methyl(prop-2-enoxy)amino]-oxomethyl]-5-[[oxo-[(2S)-1-[oxo(prop-2-enoxy)methyl]-4-sulfonyl-2-pyrrolidinyl]methyl]amino]benzoic acid IUPAC Name: 3-[methyl(prop-2-enoxy)carbamoyl]-5-[[(2S)-1-prop-2-enoxycarbonyl-4-sulfonylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[(2S)-1-allyloxycarbonyl-4-sulfonyl-prolyl]amino]-5-[allyloxy(methyl)carbamoyl]benzoic acid Formula: C21H23N3O9S MolecularWeight: 493.48702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC(=CC(=C1)NC(=O)C2CC(=S(=O)=O)CN2C(=O)OCC=C)C(=O)O)OCC=C

Isomeric SMILES

CN(C(=O)C1=CC(=CC(=C1)NC(=O)[C@@H]2CC(=S(=O)=O)CN2C(=O)OCC=C)C(=O)O)OCC=C

InChI

InChI=1S/C21H23N3O9S/c1-4-6-32-21(29)24-12-16(34(30)31)11-17(24)18(25)22-15-9-13(8-14(10-15)20(27)28)19(26)23(3)33-7-5-2/h4-5,8-10,17H,1-2,6-7,11-12H2,3H3,(H,22,25)(H,27,28)/t17-/m0/s1