(2S)-2-[[(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: (2S)-2-[[(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(4-acetamidophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(4-acetamidophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: (2S)-2-[[(2S)-1-(4-acetamidophenyl)sulfonylprolyl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C25H30N4O8S MolecularWeight: 546.5927

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)OC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C25H30N4O8S/c1-16(30)26-18-8-12-20(13-9-18)38(35,36)29-14-4-5-22(29)23(31)27-21(24(32)33)15-17-6-10-19(11-7-17)37-25(34)28(2)3/h6-13,21-22H,4-5,14-15H2,1-3H3,(H,26,30)(H,27,31)(H,32,33)/t21-,22-/m0/s1