Molecule ID: 5459319

IUPAC Name: (10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone

Description: The molecule is a macrolide that is (together with pristinamycin IA) a component of pristinamycin, an oral streptogramin antibiotic produced by Streptomyces pristinaespiralis. Pristinamycin exhibits bactericidal activity against Gram positive organisms including methicillin-resistant Staphylococcus aureus. It has a role as an antibacterial drug and a Mycoplasma genitalium metabolite. It is a lactam, a macrolide, a member of 1,3-oxazoles, a pyrroline, an enamide, a secondary alcohol, a cyclic ketone, a macrolide antibiotic, a tertiary carboxamide and a secondary carboxamide.

SMILES: CC1=C\[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(O)=NC\C=C\1

SELFIES: [C][C][=C][\C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][C][C][=N][C][=Branch1][Branch1][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C@H1][Branch1][C][C][/C][=C][/C][Branch1][C][O][=N][C][\C][=C][-\Ring2][Ring2][Branch1]

InChI: InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 2.5