2-[[(2S)-1-(3-chlorophenyl)sulfonyl-2-methyl-pyrrolidin-2-yl]carbonylamino]-3-(4-morpholin-4-ylcarbonyloxyphenyl)propanoic acid

Systemtic Name: 2-[[(2S)-1-(3-chlorophenyl)sulfonyl-2-methyl-pyrrolidin-2-yl]carbonylamino]-3-(4-morpholin-4-ylcarbonyloxyphenyl)propanoic acid Openeye Name: 2-[[(2S)-1-(3-chlorophenyl)sulfonyl-2-methyl-pyrrolidine-2-carbonyl]amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid CAS Name: 2-[[[(2S)-1-(3-chlorophenyl)sulfonyl-2-methyl-2-pyrrolidinyl]-oxomethyl]amino]-3-[4-[4-morpholinyl(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[(2S)-1-(3-chlorophenyl)sulfonyl-2-methylpyrrolidine-2-carbonyl]amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid Traditional Name: 2-[[(2S)-1-(3-chlorophenyl)sulfonyl-2-methyl-prolyl]amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propionic acid Formula: C26H30ClN3O8S MolecularWeight: 580.0497

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1S(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)NC(CC3=CC=C(C=C3)OC(=O)N4CCOCC4)C(=O)O

Isomeric SMILES

C[C@]1(CCCN1S(=O)(=O)C2=CC(=CC=C2)Cl)C(=O)NC(CC3=CC=C(C=C3)OC(=O)N4CCOCC4)C(=O)O

InChI

InChI=1S/C26H30ClN3O8S/c1-26(10-3-11-30(26)39(35,36)21-5-2-4-19(27)17-21)24(33)28-22(23(31)32)16-18-6-8-20(9-7-18)38-25(34)29-12-14-37-15-13-29/h2,4-9,17,22H,3,10-16H2,1H3,(H,28,33)(H,31,32)/t22?,26-/m0/s1