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Substance Name: SPA S-753
RN: 143483-67-4
InChIKey: HJBVLNMWGIWYNV-RNEHGLIMSA-N

Molecular Formula

  • C67-H103-N5-O19.2C4-H7-N-O4

Molecular Weight

  • 1548.7713
 
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Names and Synonyms

Results Name

  • SPA S-753

Synonyms

  • N-Dimethylaminoacetyl-partricin A 2-dimethylaminoethylamide diaspartate
  • SPA-S-753

Systematic Name

  • L-Aspartic acid, compd. with 18-decarboxy-40-demethyl-3,7-dideoxo-N3'-((dimethylamino)acetyl)-18-(((2-(dimethylamino)ethyl)amino)carbonyl)-3,7-dihydroxy-N47-methyl-5-oxocandicidin D cyclic 15,19-hemiacetal (2:1)

Registry Numbers

CAS Registry Number

  • 143483-67-4

System Generated Number

  • 0143483674

Molecular Formulas

Molecular Formula

  • C67-H103-N5-O19.2C4-H7-N-O4

Molecular Formula Fragments

  • C4-H7-N-O4
  • C67-H103-N5-O19
  • COMPONENT

Structure Descriptors

InChI

1S/C67H103N5O19.2C4H7NO4/c1-42-21-19-17-15-13-11-9-10-12-14-16-18-20-22-54(89-66-63(85)61(62(84)44(3)88-66)70-58(82)41-72(7)8)38-57-60(65(86)69-29-30-71(5)6)56(81)40-67(87,91-57)39-53(79)35-51(77)33-49(75)31-48(74)32-50(76)34-52(78)37-59(83)90-64(42)43(2)23-28-47(73)36-55(80)45-24-26-46(68-4)27-25-45;2*5-2(4(8)9)1-3(6)7/h9-22,24-27,42-44,47-49,51-54,56-57,60-64,66,68,73-75,77-79,81,84-85,87H,23,28-41H2,1-8H3,(H,69,86)(H,70,82);2*2H,1,5H2,(H,6,7)(H,8,9)/b10-9+,13-11+,14-12+,17-15+,18-16+,21-19+,22-20+;;/t42?,43?,44-,47?,48?,49?,51?,52?,53?,54?,56?,57?,60?,61+,62-,63+,64?,66+,67?;2*2-/m100/s1

InChIKey

HJBVLNMWGIWYNV-RNEHGLIMSA-N

Smiles

CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(O[C@@H]4O[C@H](C)[C@@H](O)[C@H](NC(=O)CN(C)C)[C@@H]4O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C2C)O3)C(=O)NCCN(C)C.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O