ethyl (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonyl-3-phenyl-pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonyl-3-phenyl-pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[(2S)-1-(4-methylphenyl)sulfonyl-3-phenyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-[[(2S)-3-phenyl-1-tosyl-prolyl]amino]propionic acid ethyl ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(CCN2S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2C(CCN2S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H32N2O5S/c1-3-36-29(33)26(20-22-10-6-4-7-11-22)30-28(32)27-25(23-12-8-5-9-13-23)18-19-31(27)37(34,35)24-16-14-21(2)15-17-24/h4-17,25-27H,3,18-20H2,1-2H3,(H,30,32)/t25?,26-,27-/m0/s1