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Substance Name: Rifamycin, 3-((2-(4-carboxy-1-oxobutoxy)ethyl)thio)-1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 5'-ester with 3'-azido-3'-deoxythymidine
RN: 191152-96-2
InChIKey: PUXXMOAFMJYULQ-IPFSDGDRSA-N

Molecular Formula

  • C54-H66-N6-O19-S

Molecular Weight

  • 1135.2044
 
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Names and Synonyms

  • Rifamycin, 3-((2-(4-carboxy-1-oxobutoxy)ethyl)thio)-1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 5'-ester with 3'-azido-3'-deoxythymidine

Registry Numbers

CAS Registry Number

  • 191152-96-2

System Generated Number

  • 0191152962

Structure Descriptors

InChI

1S/C54H66N6O19S/c1-24-13-11-14-25(2)51(70)56-41-45(67)39-38(40-48(30(7)44(39)66)79-54(9,50(40)69)76-18-17-33(73-10)27(4)47(77-31(8)61)29(6)43(65)28(5)42(24)64)46(68)49(41)80-20-19-74-36(62)15-12-16-37(63)75-23-34-32(58-59-55)21-35(78-34)60-22-26(3)52(71)57-53(60)72/h11,13-14,17-18,22,24,27-29,32-35,42-43,47,64-66H,12,15-16,19-21,23H2,1-10H3,(H,56,70)(H,57,71,72)/b13-11+,18-17+,25-14-/t24-,27+,28+,29+,32+,33-,34-,35-,42-,43+,47+,54-/m0/s1

InChIKey

PUXXMOAFMJYULQ-IPFSDGDRSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@@H]2C[C@H]([C@@H](O2)COC(=O)CCCC(=O)OCCSC3=C4C(=O)c5c(c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)C3=O)N=[N+]=[N-]