21-phosphorifampicin

Chemical Formula:

C₄₃H₅₇N₄O₁₅P

Molecular Weight:

900.915 Daltons

Monoisotopic Mass:

903.3792787883001 Daltons

SMILES:

CC3(C(OP([O-])([O-])=O)C(C)C(O)C(C)C(OC(=O)C)C(C)C(OC)C=COC1(C)(OC5(C(C(=O)1)=C4(C(O)=C(C=NN2(CC[N+](C)CC2))C(NC(=O)C(C)=CC=C3)=C(O)C4=C([O-])C(C)=5))))

InChI:

1S/C43H59N4O15P/c1-21-12-11-13-22(2)42(54)45-33-28(20-44-47-17-15-46(9)16-18-47)36(51)30-31(37(33)52)35(50)26(6)40-32(30)41(53)43(8,61-40)59-19-14-29(58-10)23(3)39(60-27(7)48)25(5)34(49)24(4)38(21)62-63(55,56)57/h11-14,19-21,23-25,29,34,38-39,49-52H,15-18H2,1-10H3,(H,45,54)(H2,55,56,57)/p-2/b12-11-,19-14-,22-13-,44-20+/t21-,23+,24-,25+,29-,34+,38-,39+,43-/m0/s1

InChIKey:

DLPFYGTUMXCNLJ-PJALUMFCSA-L

Synonyms

21-phosphorifampin
phospho-RIF

Databases

MetaCyc: CPD-20026

PubChem (CID): 129320394 135886643

ChEBI: 140195