(2S)-2-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(3S)-1-(4-fluorophenyl)sulfonylnipecotoyl]amino]-3-phenyl-propionate Formula: C21H22FN2O5S- MolecularWeight: 433.473183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H23FN2O5S/c22-17-8-10-18(11-9-17)30(28,29)24-12-4-7-16(14-24)20(25)23-19(21(26)27)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,16,19H,4,7,12-14H2,(H,23,25)(H,26,27)/p-1/t16-,19-/m0/s1