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Substance Name: L-Alanine, 3-amino-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)-, (5S-trans)-
RN: 148763-63-7
InChIKey: PHIULQCTXKFSLD-QSFUVNTFSA-N

Molecular Formula

  • C40-H45-N3-O18

Molecular Weight

  • 855.7985
 
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Names and Synonyms

  • L-Alanine, 3-amino-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)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 148763-63-7

System Generated Number

  • 0148763637

Structure Descriptors

InChI

1S/C40H45N3O18/c1-11-5-17-24(31(50)21(11)37(54)43-18(9-41)38(55)56)23-15(8-16-25(32(23)51)28(47)14-6-13(57-4)7-19(44)22(14)27(16)46)29(48)35(17)60-40-34(53)36(26(42-3)12(2)59-40)61-39-33(52)30(49)20(45)10-58-39/h5-8,12,18,20,26,29-30,33-36,39-40,42,44-45,48-53H,9-10,41H2,1-4H3,(H,43,54)(H,55,56)/t12-,18+,20-,26+,29+,30+,33-,34-,35+,36+,39+,40+/m1/s1

InChIKey

PHIULQCTXKFSLD-QSFUVNTFSA-N

Smiles

Cc1cc2c(c(c1C(=O)N[C@@H](CN)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