2-[4-[(3R,4R)-4-[(4-hydroxyphenyl)carbonylamino]-1-propan-2-yl-pyrrolidin-3-yl]oxycarbonyl-2,6-bis(oxidanyl)phenyl]carbonyl-3-oxidanyl-benzoic acid

Systemtic Name: 2-[4-[(3R,4R)-4-[(4-hydroxyphenyl)carbonylamino]-1-propan-2-yl-pyrrolidin-3-yl]oxycarbonyl-2,6-bis(oxidanyl)phenyl]carbonyl-3-oxidanyl-benzoic acid Openeye Name: 2-[2,6-dihydroxy-4-[(3R,4R)-4-[(4-hydroxybenzoyl)amino]-1-isopropyl-pyrrolidin-3-yl]oxycarbonyl-benzoyl]-3-hydroxy-benzoic acid CAS Name: 2-[[2,6-dihydroxy-4-[[(3R,4R)-4-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-propan-2-yl-3-pyrrolidinyl]oxy-oxomethyl]phenyl]-oxomethyl]-3-hydroxybenzoic acid IUPAC Name: 2-[2,6-dihydroxy-4-[(3R,4R)-4-[(4-hydroxybenzoyl)amino]-1-propan-2-ylpyrrolidin-3-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid Traditional Name: 2-[2,6-dihydroxy-4-[(3R,4R)-4-[(4-hydroxybenzoyl)amino]-1-isopropyl-pyrrolidin-3-yl]oxycarbonyl-benzoyl]-3-hydroxy-benzoic acid Formula: C29H28N2O10 MolecularWeight: 564.54002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(C(C1)OC(=O)C2=CC(=C(C(=C2)O)C(=O)C3=C(C=CC=C3O)C(=O)O)O)NC(=O)C4=CC=C(C=C4)O

Isomeric SMILES

CC(C)N1C[C@H]([C@@H](C1)OC(=O)C2=CC(=C(C(=C2)O)C(=O)C3=C(C=CC=C3O)C(=O)O)O)NC(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C29H28N2O10/c1-14(2)31-12-19(30-27(37)15-6-8-17(32)9-7-15)23(13-31)41-29(40)16-10-21(34)25(22(35)11-16)26(36)24-18(28(38)39)4-3-5-20(24)33/h3-11,14,19,23,32-35H,12-13H2,1-2H3,(H,30,37)(H,38,39)/t19-,23-/m1/s1