2-[3-[[(2S)-2-(4-methoxyphenyl)-2-[[(2R)-2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propanoyl]amino]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(2S)-2-(4-methoxyphenyl)-2-[[(2R)-2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propanoyl]amino]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanoyl]amino]phenoxy]acetic acid CAS Name: 2-[3-[[(2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)-1-oxopropyl]amino]phenoxy]acetic acid IUPAC Name: 2-[3-[[(2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanoyl]amino]phenoxy]acetic acid Traditional Name: 2-[3-[[(2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanoyl]amino]phenoxy]acetic acid Formula: C27H31N3O9S MolecularWeight: 573.61474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)(C(=O)NC2=CC(=CC=C2)OCC(=O)O)NCC(C3=CC(=C(C=C3)O)NS(=O)(=O)C)O

Isomeric SMILES

C[C@](C1=CC=C(C=C1)OC)(C(=O)NC2=CC(=CC=C2)OCC(=O)O)NC[C@@H](C3=CC(=C(C=C3)O)NS(=O)(=O)C)O

InChI

InChI=1S/C27H31N3O9S/c1-27(18-8-10-20(38-2)11-9-18,26(35)29-19-5-4-6-21(14-19)39-16-25(33)34)28-15-24(32)17-7-12-23(31)22(13-17)30-40(3,36)37/h4-14,24,28,30-32H,15-16H2,1-3H3,(H,29,35)(H,33,34)/t24-,27-/m0/s1