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Substance Name: Ristomycin A aglycone, 22, 31-dichloro-41-((decylamino)methyl)-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-(((3-(dimethylamino)propyl)amino)carbonyl)-
RN: 204332-74-1
InChIKey: UJFAZUKFJWGTHA-TZOUMCJZSA-N

Molecular Formula

  • C74-H80-Cl2-N10-O17

Molecular Weight

  • 1452.405
 
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Names and Synonyms

Synonym

  • Teicoplanin aglycon, 38-N-(dimethylamino propyl)carbamyl-, 41-decyl aminomethyl-

Systematic Name

  • Ristomycin A aglycone, 22, 31-dichloro-41-((decylamino)methyl)-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-38-(((3-(dimethylamino)propyl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 204332-74-1

System Generated Number

  • 0204332741

Structure Descriptors

InChI

1S/C74H80Cl2N10O17/c1-4-5-6-7-8-9-10-11-21-78-35-46-52(90)34-45-58(66(46)92)44-28-38(15-17-50(44)88)60-71(97)85-64(74(100)84-63(45)70(96)79-22-12-23-86(2)3)65(91)39-16-20-54(48(76)29-39)103-57-32-41-31-56(67(57)93)102-53-19-13-36(24-47(53)75)25-49-68(94)81-61(72(98)83-62(41)73(99)82-60)40-26-42(87)33-43(27-40)101-55-30-37(14-18-51(55)89)59(77)69(95)80-49/h13-20,24,26-34,49,59-65,78,87-93H,4-12,21-23,25,35,77H2,1-3H3,(H,79,96)(H,80,95)(H,81,94)(H,82,99)(H,83,98)(H,84,100)(H,85,97)/t49-,59-,60-,61+,62-,63+,64+,65-/m1/s1

InChIKey

UJFAZUKFJWGTHA-TZOUMCJZSA-N

Smiles

CCCCCCCCCCNCc1c(cc2c(c1O)-c3cc(ccc3O)[C@@H]4C(=O)N[C@@H]([C@@H](c5ccc(c(c5)Cl)Oc6cc7cc(c6O)Oc8ccc(cc8Cl)C[C@@H]9C(=O)N[C@@H](c1cc(cc(c1)Oc1cc(ccc1O)[C@H](C(=O)N9)N)O)C(=O)N[C@H]7C(=O)N4)O)C(=O)N[C@@H]2C(=O)NCCCN(C)C)O