Molecule ID: 9875999

IUPAC Name: N-[7,21-dihydroxy-6-(methoxymethyl)-17,20-dimethyl-2,5,8,15,19,22-hexaoxo-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl]-2-(5-hexyl-2-hydroxy-6-methyloxan-2-yl)-2-hydroxypropanamide

Description: The molecule is a 19-membered cyclodepsipeptide that is a hexadepsipeptide isolated from the fermentation broth of Streptomyces griseoaurantiacus MK393-AF2 and exhibits potent inhibitory activity against various Gram-positive bacteria including Enterococcus seriolicida and methicillin-resistant Staphylococcus aureus. It has a role as a metabolite, an antimicrobial agent and an antibacterial agent.

SMILES: CCCCCCC1CCC(O)(C(C)(O)C(O)=NC2C(=O)N3NCCCC3C(=O)N(O)C(COC)C(O)=NCC(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)OC2C)OC1C

SELFIES: [C][C][C][C][C][C][C][C][C][C][Branch1][C][O][Branch2][=Branch1][S][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][N][N][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][O][C][Branch1][Ring2][C][O][C][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][N][N][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Ring2][Ring2][#Branch1][C][O][C][Ring2][Branch1][Branch1][C]

InChI: InChI=1S/C38H64N8O14/c1-7-8-9-10-13-25-16-17-38(55,60-23(25)3)37(5,54)36(53)42-30-24(4)59-35(52)22(2)45(56)32(49)26-14-11-18-40-43(26)29(47)20-39-31(48)28(21-58-6)46(57)33(50)27-15-12-19-41-44(27)34(30)51/h22-28,30,40-41,54-57H,7-21H2,1-6H3,(H,39,48)(H,42,53)

Molecular Properties:
- Polar Surface Area: 289.0 Ų
- LogP: 0.6