N-[(3S,7S,11S)-7,11-bis[[2,5-bis(oxidanyl)phenyl]carbonylamino]-2,6,10-tris(oxidanylidene)-1,5,9-trioxacyclododec-3-yl]-2,5-bis(oxidanyl)benzamide

Systemtic Name: N-[(3S,7S,11S)-7,11-bis[[2,5-bis(oxidanyl)phenyl]carbonylamino]-2,6,10-tris(oxidanylidene)-1,5,9-trioxacyclododec-3-yl]-2,5-bis(oxidanyl)benzamide Openeye Name: N-[(3S,7S,11S)-7,11-bis[(2,5-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,5-dihydroxy-benzamide CAS Name: N-[(3S,7S,11S)-7,11-bis[[(2,5-dihydroxyphenyl)-oxomethyl]amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,5-dihydroxybenzamide IUPAC Name: N-[(3S,7S,11S)-7,11-bis[(2,5-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2,5-dihydroxybenzamide Traditional Name: N-[(3S,7S,11S)-7,11-bis(gentisoylamino)-2,6,10-triketo-1,5,9-trioxacyclododec-3-yl]-2,5-dihydroxy-benzamide Formula: C30H27N3O15 MolecularWeight: 669.54648

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)OCC(C(=O)OCC(C(=O)O1)NC(=O)C2=C(C=CC(=C2)O)O)NC(=O)C3=C(C=CC(=C3)O)O)NC(=O)C4=C(C=CC(=C4)O)O

Isomeric SMILES

C1[C@@H](C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=C(C=CC(=C2)O)O)NC(=O)C3=C(C=CC(=C3)O)O)NC(=O)C4=C(C=CC(=C4)O)O

InChI

InChI=1S/C30H27N3O15/c34-13-1-4-22(37)16(7-13)25(40)31-19-10-46-29(44)21(33-27(42)18-9-15(36)3-6-24(18)39)12-48-30(45)20(11-47-28(19)43)32-26(41)17-8-14(35)2-5-23(17)38/h1-9,19-21,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/t19-,20-,21-/m0/s1