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Substance Name: BMY 28749
RN: 150134-46-6
InChIKey: YQCRQWCXQCBBPZ-DXTQRTNBSA-N

Molecular Formula

  • C36-H38-N2-O14

Molecular Weight

  • 722.6962
 
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Names and Synonyms

Results Name

  • BMY 28749

Synonym

  • BMY-28749

Systematic Name

  • D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-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)-, methyl ester, (5S-trans)-

Registry Numbers

CAS Registry Number

  • 150134-46-6

System Generated Number

  • 0150134466

Structure Descriptors

InChI

1S/C36H38N2O14/c1-11-7-18-23(29(43)20(11)34(47)38-12(2)35(48)50-6)22-16(28(42)33(18)52-36-32(46)31(45)25(37-4)13(3)51-36)10-17-24(30(22)44)27(41)15-8-14(49-5)9-19(39)21(15)26(17)40/h7-10,12-13,25,28,31-33,36-37,39,42-46H,1-6H3,(H,38,47)/t12-,13-,25+,28+,31+,32-,33+,36+/m1/s1

InChIKey

YQCRQWCXQCBBPZ-DXTQRTNBSA-N

Smiles

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