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Substance Name: L-Aspartic acid, 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: 148763-61-5
InChIKey: YUTNIEIICDXLGV-WPXMEMIISA-N

Molecular Formula

  • C41-H44-N2-O20

Molecular Weight

  • 884.7926
 
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Names and Synonyms

  • L-Aspartic acid, 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

  • 148763-61-5

System Generated Number

  • 0148763615

Structure Descriptors

InChI

1S/C41H44N2O20/c1-11-5-17-25(32(52)22(11)38(56)43-18(39(57)58)9-21(46)47)24-15(8-16-26(33(24)53)29(49)14-6-13(59-4)7-19(44)23(14)28(16)48)30(50)36(17)62-41-35(55)37(27(42-3)12(2)61-41)63-40-34(54)31(51)20(45)10-60-40/h5-8,12,18,20,27,30-31,34-37,40-42,44-45,50-55H,9-10H2,1-4H3,(H,43,56)(H,46,47)(H,57,58)/t12-,18+,20-,27+,30+,31+,34-,35-,36+,37+,40+,41+/m1/s1

InChIKey

YUTNIEIICDXLGV-WPXMEMIISA-N

Smiles

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