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

Systemtic Name: (2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-3-phenyl-2-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-[[(3S)-1-tosylnipecotoyl]amino]propionate Formula: C22H25N2O5S- MolecularWeight: 429.5093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H26N2O5S/c1-16-9-11-19(12-10-16)30(28,29)24-13-5-8-18(15-24)21(25)23-20(22(26)27)14-17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20H,5,8,13-15H2,1H3,(H,23,25)(H,26,27)/p-1/t18-,20-/m0/s1