2-acetamido-3-[1-(4-butoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[1-(4-butoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(4-butoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-[4-[butoxy(oxo)methyl]phenyl]-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(4-butoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[1-(4-butoxycarbonylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C20H24N2O7S/c1-3-4-9-29-20(28)13-5-7-14(8-6-13)22-17(24)10-16(18(22)25)30-11-15(19(26)27)21-12(2)23/h5-8,15-16H,3-4,9-11H2,1-2H3,(H,21,23)(H,26,27)