[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C28H30FN3O6S MolecularWeight: 555.617703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C28H30FN3O6S/c1-19(2)26(30-27(34)23-9-5-6-10-24(23)29)28(35)38-18-25(33)31-13-15-32(16-14-31)39(36,37)22-12-11-20-7-3-4-8-21(20)17-22/h3-12,17,19,26H,13-16,18H2,1-2H3,(H,30,34)/t26-/m0/s1