methyl (2R)-2-[(4-methylphenyl)sulfonyl-[(2S)-pyrrolidin-2-yl]carbonyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[(4-methylphenyl)sulfonyl-[(2S)-pyrrolidin-2-yl]carbonyl-amino]-3-phenyl-propanoate Openeye Name: methyl (2R)-3-phenyl-2-[p-tolylsulfonyl-[(2S)-pyrrolidine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[(4-methylphenyl)sulfonyl-[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-methylphenyl)sulfonyl-[(2S)-pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2R)-3-phenyl-2-[[(2S)-prolyl]-tosyl-amino]propionic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=CC=C2)C(=O)OC)C(=O)C3CCCN3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N([C@H](CC2=CC=CC=C2)C(=O)OC)C(=O)[C@@H]3CCCN3

InChI

InChI=1S/C22H26N2O5S/c1-16-10-12-18(13-11-16)30(27,28)24(21(25)19-9-6-14-23-19)20(22(26)29-2)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,19-20,23H,6,9,14-15H2,1-2H3/t19-,20+/m0/s1