(2S)-2-[[(Z)-3-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]-1-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enoxy]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(Z)-3-[(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonylpyrrolidin-2-yl]-1-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enoxy]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(Z)-1-tert-butoxy-3-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-3-oxo-prop-1-enoxy]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(Z)-3-[(2S)-1-(3,5-dichlorophenyl)sulfonyl-2-pyrrolidinyl]-1-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enoxy]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(Z)-3-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-1-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enoxy]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(Z)-1-tert-butoxy-3-[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-3-keto-prop-1-enoxy]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C26H30Cl2N2O8S MolecularWeight: 601.496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=CC(=O)C1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)ONC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CC(C)(C)O/C(=C/C(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)/ON[C@@H](CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C26H30Cl2N2O8S/c1-26(2,3)37-24(38-29-21(25(33)34)11-16-6-8-19(31)9-7-16)15-23(32)22-5-4-10-30(22)39(35,36)20-13-17(27)12-18(28)14-20/h6-9,12-15,21-22,29,31H,4-5,10-11H2,1-3H3,(H,33,34)/b24-15-/t21-,22-/m0/s1