[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-5-azanyl-2-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-5-azanyl-2-[(4-fluorophenyl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(4-fluorophenyl)-oxomethyl]amino]-5-oxopentanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-keto-valeric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H22FN3O7 MolecularWeight: 459.424383

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C(CCC(=O)N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)[C@H](CCC(=O)N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O7/c23-15-4-2-14(3-5-15)21(29)26-16(6-8-19(24)27)22(30)31-11-20(28)25-10-13-1-7-17-18(9-13)33-12-32-17/h1-5,7,9,16H,6,8,10-12H2,(H2,24,27)(H,25,28)(H,26,29)/t16-/m0/s1