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Substance Name: Tardomyocel compound
RN: 137915-10-7
InChIKey: PRMBINSZWVHEGI-LBIWGONOSA-N

Molecular Formula

  • C21-H41-N7-O12.C16-N20-N2.2C16-H18-N2-O4-S.C16-H18-N2-O4-S.C13-H20-N2-O2.3/2H2-O4-S

Molecular Weight

  • 2941.2608
 
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Names and Synonyms

Name of Substance

  • Tardomyocel compound

Systematic Name

  • D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, sulfate (2:3) (salt), mixt. with N,N'-bis(phenylmethyl)-1,2-ethanediaminebis((2S-(2alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate and 2-(diethylamino)ethyl 4-aminobenzoate mono((2S-(2alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.))heptane-2-carboxylate)

Registry Numbers

CAS Registry Number

  • 137915-10-7

System Generated Number

  • 0137915107

Molecular Formulas

Molecular Formula

  • C21-H41-N7-O12.C16-N20-N2.2C16-H18-N2-O4-S.C16-H18-N2-O4-S.C13-H20-N2-O2.3/2H2-O4-S

Molecular Formula Fragments

  • C13-H20-N2-O2
  • C16-H18-N2-O4-S
  • C16-N20-N2
  • C21-H41-N7-O12
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

InChI=1S/2C21H41N7O12.3C16H18N2O4S.C16H20N2.C13H20N2O2.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;3*1-5(2,3)4/h2*5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;5-8H,3-4,9-10,14H2,1-2H3;3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;3*11-,12+,14-;;;;;/m00111...../s1

InChIKey

PRMBINSZWVHEGI-LBIWGONOSA-N

Smiles

CCN(CC)CCOC(=O)c1ccc(N)cc1.CN[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@H]2O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]4NC(=N)N)O[C@@H](C)[C@]3(O)CO.CN[C@H]5[C@H](O)[C@@H](O)[C@H](CO)O[C@H]5O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]7NC(=N)N)O[C@@H](C)[C@]6(O)CO.CC8(C)S[C@@H]9[C@H](NC(=O)Cc%10ccccc%10)C(=O)N9[C@H]8C(=O)O.CC%11(C)S[C@@H]%12[C@H](NC(=O)Cc%13ccccc%13)C(=O)N%12[C@H]%11C(=O)O.CC%14(C)S[C@@H]%15[C@H](NC(=O)Cc%16ccccc%16)C(=O)N%15[C@H]%14C(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.C(CNCc%17ccccc%17)NCc%18ccccc%18