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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H61N7O13
Molecular Weight 944.037
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Rifasutenizol

SMILES

CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C5NC6(CCN(CCN7C(C)=NC=C7[N+]([O-])=O)CC6)N=C5C4=C3C2=O

InChI

InChIKey=GVNMWVKTEANXFY-AIGATTFSSA-N
InChI=1S/C48H61N7O13/c1-23-12-11-13-24(2)46(62)50-38-37-36(51-48(52-37)15-17-53(18-16-48)19-20-54-29(7)49-22-32(54)55(63)64)33-34(42(38)60)41(59)28(6)44-35(33)45(61)47(9,68-44)66-21-14-31(65-10)25(3)43(67-30(8)56)27(5)40(58)26(4)39(23)57/h11-14,21-23,25-27,31,39-40,43,52,57-59H,15-20H2,1-10H3,(H,50,62)/b12-11+,21-14+,24-13-/t23-,25+,26+,27+,31-,39-,40+,43+,47-/m0/s1

HIDE SMILES / InChI

Molecular Formula C48H61N7O13
Molecular Weight 944.037
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
2G83RZK9U6
Record Status Validated (UNII)
Record Version