(2S)-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-5-keto-1-tosyl-prolyl]amino]-3-phenyl-propionic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CCC2=O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O6S/c1-14-7-9-16(10-8-14)30(28,29)23-18(11-12-19(23)24)20(25)22-17(21(26)27)13-15-5-3-2-4-6-15/h2-10,17-18H,11-13H2,1H3,(H,22,25)(H,26,27)/t17-,18-/m0/s1