(2S)-3-phenyl-2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: (2S)-3-phenyl-2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(3S)-1-besylnipecotoyl]amino]-3-phenyl-propionate Formula: C21H23N2O5S- MolecularWeight: 415.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c24-20(22-19(21(25)26)14-16-8-3-1-4-9-16)17-10-7-13-23(15-17)29(27,28)18-11-5-2-6-12-18/h1-6,8-9,11-12,17,19H,7,10,13-15H2,(H,22,24)(H,25,26)/p-1/t17-,19-/m0/s1