Chloroeremomycin

CAS Registry Number®

118395-73-6

CAS Name

Chloroeremomycin

Molecular Formula

C73H88Cl2N10O26

Molecular Mass

1592.44

Cite this Page

Chloroeremomycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118395-73-6 (retrieved 2024-11-24) (CAS RN: 118395-73-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1

InChIKey

InChIKey=XJHXLMVKYIVZTE-LOALFDMRSA-N

SMILES

O(C=1C2=CC3=CC1OC=4C(Cl)=CC(=CC4)[C@@H](O)[C@@H](NC([C@@H](CC(C)C)NC)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3(C(=O)N[C@@]5(C=6C=C(C=7C([C@@H](C(O)=O)NC(=O)[C@]([C@H](O[C@H]8C[C@](C)(N)[C@@H](O)[C@H](C)O8)C=9C=C(Cl)C(O2)=CC9)(NC5=O)[H])=CC(O)=CC7O)C(O)=CC6)[H])[H])[C@H]%10[C@H](O[C@H]%11C[C@](C)(N)[C@@H](O)[C@H](C)O%11)[C@@H](O)[C@H](O)[C@@H](CO)O%10

Canonical SMILES

O=C(O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(NC(=O)C(NC(=O)C(NC)CC(C)C)C(O)C4=CC=C(OC=5C=C3C=C(OC6=CC=C(C=C6Cl)C2OC7OC(C)C(O)C(N)(C)C7)C5OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(N)(C)C9)C(Cl)=C4)CC(=O)N)C%10=CC=C(O)C(=C%10)C%11=C(O)C=C(O)C=C%111

Other Names for this Substance

  • Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-, (4′′R)-
  • 22H-8,11:18,21-Dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, vancomycin deriv.
  • (4′′R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)vancomycin
  • A 82846B
  • Antibiotic A 82846B

View All

Deleted or Replaced CAS Registry Numbers

121381-62-2, 130960-26-8

CAS INSIGHTSTM
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