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

Systemtic Name: (2S)-2-[[(2S)-4-methoxy-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-4-methoxy-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[(2S)-4-methoxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-4-methoxy-1-tosyl-prolyl]amino]-3-phenyl-propionic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C22H26N2O6S/c1-15-8-10-18(11-9-15)31(28,29)24-14-17(30-2)13-20(24)21(25)23-19(22(26)27)12-16-6-4-3-5-7-16/h3-11,17,19-20H,12-14H2,1-2H3,(H,23,25)(H,26,27)/t17?,19-,20-/m0/s1