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Substance Name: Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-2-methyl-, (5S-trans)-
RN: 148677-00-3
InChIKey: MPVQNYCHQJJGIF-CLTGSWEDSA-N

Molecular Formula

  • C41-H46-N2-O18

Molecular Weight

  • 854.8104
 
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Names and Synonyms

  • Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-2-methyl-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148677-00-3

System Generated Number

  • 0148677003

Structure Descriptors

InChI

1S/C41H46N2O18/c1-12-7-18-24(31(50)21(12)37(54)43-41(3,4)40(55)56)23-16(10-17-25(32(23)51)28(47)15-8-14(57-6)9-19(44)22(15)27(17)46)29(48)35(18)60-39-34(53)36(26(42-5)13(2)59-39)61-38-33(52)30(49)20(45)11-58-38/h7-10,13,20,26,29-30,33-36,38-39,42,44-45,48-53H,11H2,1-6H3,(H,43,54)(H,55,56)/t13-,20-,26+,29+,30+,33-,34-,35+,36+,38+,39+/m1/s1

InChIKey

MPVQNYCHQJJGIF-CLTGSWEDSA-N

Smiles

Cc1cc2c(c(c1C(=O)NC(C)(C)C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)NC)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O