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

Systemtic Name: 3-[[(2S)-2-(4-methoxyphenyl)-2-[[(2R)-2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]propanoyl]amino]benzoic acid Openeye Name: 3-[[(2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanoyl]amino]benzoic acid CAS Name: 3-[[(2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[[(2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanoyl]amino]benzoic acid Traditional Name: 3-[[(2S)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]-2-(4-methoxyphenyl)propanoyl]amino]benzoic acid Formula: C26H29N3O8S MolecularWeight: 543.58876

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H29N3O8S/c1-26(18-8-10-20(37-2)11-9-18,25(34)28-19-6-4-5-17(13-19)24(32)33)27-15-23(31)16-7-12-22(30)21(14-16)29-38(3,35)36/h4-14,23,27,29-31H,15H2,1-3H3,(H,28,34)(H,32,33)/t23-,26-/m0/s1