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

Systemtic Name: 2-azanyl-3-[1-(4-butoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[1-(4-butoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-[4-[butoxy(oxo)methyl]phenyl]-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-(4-butoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[1-(4-butoxycarbonylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S/c1-2-3-8-26-18(25)11-4-6-12(7-5-11)20-15(21)9-14(16(20)22)27-10-13(19)17(23)24/h4-7,13-14H,2-3,8-10,19H2,1H3,(H,23,24)