Molecule ID: 54708748

IUPAC Name: (2S)-2-[(2S,4E)-4-[(2E,4E,6R)-6-[(1R,3R,4S,5R,8R)-1,4-dimethylspiro[2,9-dioxabicyclo[3.3.1]non-6-ene-8,2'-oxirane]-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]-1-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]-3,5-dioxopyrrolidin-2-yl]-N-methylpropanamide

Description: The molecule is a monocarboxylic acid amide that is a broad-spectrum antibiotic produced by Streptomyces lydicus. It has a role as an antimicrobial agent, an EC 2.7.7.6 (RNA polymerase) inhibitor and a bacterial metabolite. It is a monocarboxylic acid amide, an enol, a pyrrolidinone, a N-glycosyl compound, a bridged compound, a cyclic ketal, a spiro-epoxide and an organic heterobicyclic compound.

SMILES: CN=C(O)[C@@H](C)[C@H]1C(=O)/C(=C(O)/C=C/C(C)=C/[C@@H](C)[C@H]2O[C@@]3(C)O[C@H](C=C[C@@]34CO4)[C@@H]2C)C(=O)N1[C@@H]1CC[C@H](O)[C@H](C)O1

SELFIES: [C][N][=C][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][C][=Branch1][C][=O][/C][=Branch2][Ring2][#Branch1][=C][Branch1][C][O][/C][=C][/C][Branch1][C][C][=C][/C@@H1][Branch1][C][C][C@H1][O][C@@][Branch1][C][C][O][C@H1][Branch1][#Branch2][C][=C][C@@][Ring1][#Branch1][C][O][Ring1][Ring1][C@@H1][Ring1][N][C][C][=Branch1][C][=O][N][Ring2][Ring1][=N][C@@H1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][Branch2]

InChI: InChI=1S/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23-,24+,26+,28-,31-,32-/m1/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: 3.1