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Substance Name: Chloroorienticin E
RN: 118373-84-5
InChIKey: HAKVEOXLVAZZAL-UHFFFAOYSA-N

Note

  • Isolated form Amycolatopsis oritentalis.

Molecular Formula

  • C67-H77-Cl2-N9-O24

Molecular Weight

  • 1463.2903
 
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Names and Synonyms

Name of Substance

  • Chloroorienticin E

Systematic Name

  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-2'-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-56-methyl-

Registry Numbers

CAS Registry Number

  • 118373-84-5

System Generated Number

  • 0118373845

Structure Descriptors

InChI

1S/C67H77Cl2N9O24/c1-24(2)13-36(78(5)6)60(90)76-50-52(84)27-8-11-39(33(68)15-27)98-41-17-29-18-42(57(41)102-66-55(87)54(86)53(85)43(23-79)100-66)99-40-12-9-28(16-34(40)69)56(101-45-22-67(4,71)58(88)25(3)97-45)51-64(94)75-49(65(95)96)32-19-30(80)20-38(82)46(32)31-14-26(7-10-37(31)81)47(61(91)77-51)74-62(92)48(29)73-59(89)35(21-44(70)83)72-63(50)93/h7-12,14-20,24-25,35-36,43,45,47-56,58,66,79-82,84-88H,13,21-23,71H2,1-6H3,(H2,70,83)(H,72,93)(H,73,89)(H,74,92)(H,75,94)(H,76,90)(H,77,91)(H,95,96)

InChIKey

HAKVEOXLVAZZAL-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2c3ccc(c(c3)Cl)Oc4cc5cc(c4OC6C(C(C(C(O6)CO)O)O)O)Oc7ccc(cc7Cl)C(C(C(=O)NC(C(=O)NC5C(=O)NC8c9ccc(c(c9)-c1c(cc(cc1O)O)C(NC(=O)C2NC8=O)C(=O)O)O)CC(=O)N)NC(=O)C(CC(C)C)N(C)C)O)(C)N)O