2-[(3S,5S)-5-[methyl-(2-prop-2-enoxy-4-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-[(3S,5S)-5-[methyl-(2-prop-2-enoxy-4-prop-2-enoxycarbonyl-phenyl)carbamoyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-[(3S,5S)-5-[(2-allyloxy-4-allyloxycarbonyl-phenyl)-methyl-carbamoyl]-1-allyloxycarbonyl-pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-[(3S,5S)-5-[[N-methyl-4-[oxo(prop-2-enoxy)methyl]-2-prop-2-enoxyanilino]-oxomethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-[(3S,5S)-5-[methyl-(2-prop-2-enoxy-4-prop-2-enoxycarbonylphenyl)carbamoyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-[(3S,5S)-5-[(2-allyloxy-4-allyloxycarbonyl-phenyl)-methyl-carbamoyl]-1-allyloxycarbonyl-pyrrolidin-3-yl]thioacetic acid Formula: C25H30N2O7S MolecularWeight: 502.5799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O7S/c1-5-10-32-21-15-18(24(30)33-11-6-2)8-9-19(21)26(4)23(29)20-13-17(14-22(28)35)16-27(20)25(31)34-12-7-3/h5-9,15,17,20H,1-3,10-14,16H2,4H3,(H,28,35)/t17-,20-/m0/s1