methyl (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-oxidanyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-oxidanyl-amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[hydroxy-[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[hydroxy-[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[hydroxy-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[hydroxy-[(2S)-1-tosylprolyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C(CC3=CC=CC=C3)C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N([C@@H](CC3=CC=CC=C3)C(=O)OC)O

InChI

InChI=1S/C22H26N2O6S/c1-16-10-12-18(13-11-16)31(28,29)23-14-6-9-19(23)21(25)24(27)20(22(26)30-2)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,19-20,27H,6,9,14-15H2,1-2H3/t19-,20-/m0/s1