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Substance Name: MM 49721
RN: 126985-52-2
InChIKey: APHXQKPMYQJNNO-UHFFFAOYSA-N

Note

  • From Amycolatopsis orientalis.

Molecular Formula

  • C72-H87-N9-O28

Molecular Weight

  • 1526.5143
 
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Names and Synonyms

Name of Substance

  • MM 49721

Synonym

  • MM-49721

Systematic Name

  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-D-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-10,19-didechloro-2'-O-(6-deoxy-alpha-D-talopyranosyl)-

Registry Numbers

CAS Registry Number

  • 126985-52-2

System Generated Number

  • 0126985522

Structure Descriptors

InChI

1S/C72H87N9O28/c1-26(2)17-38(75-6)63(94)80-51-54(88)29-7-12-34(13-8-29)104-42-19-32-20-43(60(42)108-71-61(57(91)55(89)44(25-82)106-71)109-70-58(92)56(90)53(87)27(3)103-70)105-35-14-9-30(10-15-35)59(107-46-24-72(5,74)62(93)28(4)102-46)52-68(99)79-50(69(100)101)37-21-33(83)22-41(85)47(37)36-18-31(11-16-40(36)84)48(65(96)81-52)78-66(97)49(32)77-64(95)39(23-45(73)86)76-67(51)98/h7-16,18-22,26-28,38-39,44,46,48-59,61-62,70-71,75,82-85,87-93H,17,23-25,74H2,1-6H3,(H2,73,86)(H,76,98)(H,77,95)(H,78,97)(H,79,99)(H,80,94)(H,81,96)(H,100,101)

InChIKey

APHXQKPMYQJNNO-UHFFFAOYSA-N

Smiles

CC1C(C(C(C(O1)OC2C(C(C(OC2Oc3c4cc5cc3Oc6ccc(cc6)C(C7C(=O)NC(c8cc(cc(c8-c9cc(ccc9O)C(C(=O)N7)NC(=O)C5NC(=O)C(NC(=O)C(C(c1ccc(cc1)O4)O)NC(=O)C(CC(C)C)NC)CC(=O)N)O)O)C(=O)O)OC1CC(C(C(O1)C)O)(C)N)CO)O)O)O)O)O