[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 5-azanyl-2-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 5-azanyl-2-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 5-amino-2-[(4-fluorobenzoyl)amino]-5-oxo-pentanoate CAS Name: 5-amino-2-[[(4-fluorophenyl)-oxomethyl]amino]-5-oxopentanoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate Traditional Name: 5-amino-2-[(4-fluorobenzoyl)amino]-5-keto-valeric acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C25H29FN4O7S MolecularWeight: 548.583763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C(CCC(=O)N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C(CCC(=O)N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H29FN4O7S/c26-18-6-4-17(5-7-18)24(33)29-21(12-13-22(27)31)25(34)37-16-23(32)28-19-8-10-20(11-9-19)38(35,36)30-14-2-1-3-15-30/h4-11,21H,1-3,12-16H2,(H2,27,31)(H,28,32)(H,29,33)