Eremomycin

CAS Registry Number®

110865-90-2
No image available.

CAS Name

Eremomycin

Molecular Formula

C73H89ClN10O26

Molecular Mass

1557.99

Cite this Page

Eremomycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110865-90-2 (retrieved 2024-09-19) (CAS RN: 110865-90-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)32-11-15-43(38(74)18-32)106-45-20-33-19-44(60(45)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)105-35-12-8-30(9-13-35)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29-,39+,40-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1

InChIKey

InChIKey=UECIPBUIMXSXEI-BNSVOVDNSA-N

SMILES

O(C1=C2C=C3C=C1OC=4C=CC(=CC4)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@]6(NC(=O)[C@](NC(=O)[C@@]3(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC([C@@H](CC(C)C)NC)=O)[C@H](O)C=7C=C(Cl)C(O2)=CC7)[H])(C=8C=C(C=9C([C@@H](C(O)=O)NC6=O)=CC(O)=CC9O)C(O)=CC8)[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(OC5=CC3=CC(OC6=CC=C(C=C6)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)-19-dechloro-, (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)-19-dechlorovancomycin
  • Eremomycin
  • A 82846A

Deleted or Replaced CAS Registry Numbers

116917-61-4