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Substance Name: D-Alanine, N-((4-amino-5-((4,6-dideoxy-4-(dimethylamino)-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-dioxo-10-((trimethylammonio)methyl)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
RN: 153619-18-2
InChIKey: KOYHAARAHGXYNN-IHEAHZCQSA-O

Molecular Formula

  • C45-H57-N4-O18

Molecular Weight

  • 941.9553
 
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Names and Synonyms

  • D-Alanine, N-((4-amino-5-((4,6-dideoxy-4-(dimethylamino)-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-dioxo-10-((trimethylammonio)methyl)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 153619-18-2

System Generated Number

  • 0153619182

Structure Descriptors

InChI

1S/C45H56N4O18/c1-14-23(42(60)47-15(2)43(61)62)36(56)27-24-17(10-18-26(37(24)57)32(52)19-11-22(63-9)20(12-49(6,7)8)33(53)25(19)31(18)51)34(54)40(28(27)29(14)46)66-45-39(59)41(30(48(4)5)16(3)65-45)67-44-38(58)35(55)21(50)13-64-44/h10-11,15-16,21,30,34-35,38-41,44-45,50,54-55,58-59H,12-13H2,1-9H3,(H6-,46,47,51,52,53,56,57,60,61,62)/p+1/t15-,16-,21-,30+,34+,35+,38-,39-,40+,41+,44+,45+/m1/s1

InChIKey

KOYHAARAHGXYNN-IHEAHZCQSA-O

Smiles

Cc1c(c(c-2c(c1N)[C@@H]([C@H](c3c2c(c4c(c3)C(=O)c5c(cc(c(c5O)C[N+](C)(C)C)OC)C4=O)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)N(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)C(=O)N[C@H](C)C(=O)O