methyl (2S)-1-[4-[4-[[(2R)-2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]piperidin-1-yl]phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[4-[4-[[(2R)-2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]piperidin-1-yl]phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-1-piperidyl]benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-1-piperidinyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidino]benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H36N4O7S MolecularWeight: 560.66234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)N3CCC(CC3)NCC(C4=CC(=C(C=C4)O)NS(=O)(=O)C)O

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)N3CCC(CC3)NC[C@@H](C4=CC(=C(C=C4)O)NS(=O)(=O)C)O

InChI

InChI=1S/C27H36N4O7S/c1-38-27(35)23-4-3-13-31(23)26(34)18-5-8-21(9-6-18)30-14-11-20(12-15-30)28-17-25(33)19-7-10-24(32)22(16-19)29-39(2,36)37/h5-10,16,20,23,25,28-29,32-33H,3-4,11-15,17H2,1-2H3/t23-,25-/m0/s1