2-[4-[(3R,4R)-4-[(4-hydroxyphenyl)carbonylamino]-1-(methylcarbamoyl)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-(methylcarbamoyl)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-(methylcarbamoyl)pyrrolidin-3-yl]oxycarbonyl-benzoyl]-3-hydroxy-benzoic acid CAS Name: 2-[[2,6-dihydroxy-4-[[(3R,4R)-4-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-(methylcarbamoyl)-3-pyrrolidinyl]oxy-oxomethyl]phenyl]-oxomethyl]-3-hydroxybenzoic acid IUPAC Name: 2-[2,6-dihydroxy-4-[(3R,4R)-4-[(4-hydroxybenzoyl)amino]-1-(methylcarbamoyl)pyrrolidin-3-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid Traditional Name: 2-[2,6-dihydroxy-4-[(3R,4R)-4-[(4-hydroxybenzoyl)amino]-1-(methylcarbamoyl)pyrrolidin-3-yl]oxycarbonyl-benzoyl]-3-hydroxy-benzoic acid Formula: C28H25N3O11 MolecularWeight: 579.5116

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)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

CNC(=O)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/C28H25N3O11/c1-29-28(41)31-11-17(30-25(37)13-5-7-15(32)8-6-13)21(12-31)42-27(40)14-9-19(34)23(20(35)10-14)24(36)22-16(26(38)39)3-2-4-18(22)33/h2-10,17,21,32-35H,11-12H2,1H3,(H,29,41)(H,30,37)(H,38,39)/t17-,21-/m1/s1