4-[[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-butyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-butyl-amino]-4-oxidanylidene-butanoate Openeye Name: 4-[butyl-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[butyl-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]amino]-4-oxobutanoate IUPAC Name: 4-[butyl-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[butyl-[(3S)-2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]-4-keto-butyrate Formula: C21H27N2O6- MolecularWeight: 403.44888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CC(=O)N(C1=O)C2=CC=C(C=C2)OCCC)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCN([C@H]1CC(=O)N(C1=O)C2=CC=C(C=C2)OCCC)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H28N2O6/c1-3-5-12-22(18(24)10-11-20(26)27)17-14-19(25)23(21(17)28)15-6-8-16(9-7-15)29-13-4-2/h6-9,17H,3-5,10-14H2,1-2H3,(H,26,27)/p-1/t17-/m0/s1