Molecule ID: 70678757

IUPAC Name: (3R,6S,9E)-14-(2-hydroxyethyl)-6-methyl-11-methylidene-15-octan-2-yl-3-propan-2-yl-1-oxa-4,7,12-triazacyclopentadec-9-ene-2,5,8,13-tetrone

Description: The molecule is a 15-membered cyclodepsipeptide isolated from Streptomyces sp.M1982-63F1. It exhibits moderate activity against Gram-positive bacteria. It has a role as a metabolite, an antimicrobial agent and an antibacterial agent. It is a cyclodepsipeptide, a primary alcohol and a macrocycle.

SMILES: C=C1/C=C/C(O)=N[C@@H](C)C(O)=N[C@H](C(C)C)C(=O)OC(C(C)CCCCCC)C(CCO)C(O)=N1

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

InChI: InChI=1S/C26H43N3O6/c1-7-8-9-10-11-17(4)23-20(14-15-30)25(33)27-18(5)12-13-21(31)28-19(6)24(32)29-22(16(2)3)26(34)35-23/h12-13,16-17,19-20,22-23,30H,5,7-11,14-15H2,1-4,6H3,(H,27,33)(H,28,31)(H,29,32)/b13-12+/t17?,19-,20?,22+,23?/m0/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: 4.2