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Substance Name: Ristomycin A aglycone, 22, 31-dichloro-38-((decylamino)carbonyl)-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-
RN: 508241-93-8
InChIKey: MOELRSUHTQINPO-XAMJKTSOSA-N

Molecular Formula

  • C68-H66-Cl2-N8-O17

Molecular Weight

  • 1338.2144
 
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Names and Synonyms

Synonym

  • Teicoplanin aglycon n-decylamide

Systematic Name

  • Ristomycin A aglycone, 22, 31-dichloro-38-((decylamino)carbonyl)-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-

Registry Numbers

CAS Registry Number

  • 508241-93-8

System Generated Number

  • 0508241938

Structure Descriptors

InChI

1S/C68H66Cl2N8O17/c1-2-3-4-5-6-7-8-9-18-72-64(88)58-41-29-38(80)30-47(83)53(41)40-23-33(12-14-45(40)81)55-65(89)78-59(68(92)77-58)60(84)34-13-17-49(43(70)24-34)95-52-27-36-26-51(61(52)85)94-48-16-10-31(19-42(48)69)20-44-62(86)74-56(66(90)76-57(36)67(91)75-55)35-21-37(79)28-39(22-35)93-50-25-32(11-15-46(50)82)54(71)63(87)73-44/h10-17,19,21-30,44,54-60,79-85H,2-9,18,20,71H2,1H3,(H,72,88)(H,73,87)(H,74,86)(H,75,91)(H,76,90)(H,77,92)(H,78,89)/t44-,54-,55-,56+,57-,58+,59+,60-/m1/s1

InChIKey

MOELRSUHTQINPO-XAMJKTSOSA-N

Smiles

CCCCCCCCCCNC(=O)[C@@H]1c2cc(cc(c2-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](c2cc(cc(c2)Oc2cc(ccc2O)[C@H](C(=O)N9)N)O)C(=O)N[C@H]7C(=O)N4)O)C(=O)N1)O)O