(2S)-2-[[(E)-2-methylsulfonyl-3-phenyl-prop-2-enoxy]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(E)-2-methylsulfonyl-3-phenyl-prop-2-enoxy]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(E)-2-methylsulfonyl-3-phenyl-allyloxy]carbonylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[(E)-2-methylsulfonyl-3-phenylprop-2-enoxy]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(E)-2-methylsulfonyl-3-phenylprop-2-enoxy]carbonylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(E)-2-mesyl-3-phenyl-allyloxy]carbonylamino]-3-phenyl-propionic acid Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=CC1=CC=CC=C1)COC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)/C(=C/C1=CC=CC=C1)/COC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H21NO6S/c1-28(25,26)17(12-15-8-4-2-5-9-15)14-27-20(24)21-18(19(22)23)13-16-10-6-3-7-11-16/h2-12,18H,13-14H2,1H3,(H,21,24)(H,22,23)/b17-12+/t18-/m0/s1