Mureidomycin A

Molecular Formula: C₃₈H₄₈N₈O₁₂S

InChI: InChI=1/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19-/t20u,26?,27u,28u,29-,31?,35-/m1/s1/f/h40-44,54H

InChIKey: InChIKey=LLINEOOFHRQODR-IIOVABORDD
SMILES: CC(C(C(=O)NC=C1CC(C(O1)N2C=CC(=O)NC2=O)O)NC(=O)C(CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)C(CC4=CC(=CC=C4)O)N

Names:
    C12007
    MRD A
    Mureidomycin A
    114797-04-5
    2-[[1-[[2-[[2-amino-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-oxolan-2-ylidene]methyl]carbamoyl]propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid

Registries:
    PubChem CID 5282042
    PubChem ID 14166