Teicoplanin A 3-1

CAS Registry Number®

93616-27-4

CAS Name

Teicoplanin A 3-1

Molecular Formula

C72H68Cl2N8O28

Molecular Mass

1564.25

Cite this Page

Teicoplanin A 3-1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93616-27-4 (retrieved 2024-11-22) (CAS RN: 93616-27-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C72H68Cl2N8O28/c1-24(85)76-55-60(93)58(91)47(22-83)108-71(55)110-63-28-5-9-42(37(74)15-28)106-46-18-30-17-45(57(46)90)105-41-8-2-25(10-36(41)73)11-38-64(96)78-52(29-12-31(86)19-33(13-29)104-43-16-26(3-7-40(43)89)50(75)65(97)77-38)67(99)80-53(30)68(100)79-51-27-4-6-39(88)34(14-27)49-35(54(70(102)103)81-69(101)56(63)82-66(51)98)20-32(87)21-44(49)107-72-62(95)61(94)59(92)48(23-84)109-72/h2-10,12-21,38,47-48,50-56,58-63,71-72,83-84,86-95H,11,22-23,75H2,1H3,(H,76,85)(H,77,97)(H,78,96)(H,79,100)(H,80,99)(H,81,101)(H,82,98)(H,102,103)/t38-,47-,48-,50-,51-,52+,53-,54+,55-,56+,58-,59-,60-,61+,62+,63-,71+,72+/m1/s1

InChIKey

InChIKey=SUFIXUDUKRJOBH-JSMFNTJWSA-N

SMILES

O(C1=C2C([C@@H](C(O)=O)NC(=O)[C@@]3([C@H](O[C@H]4[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=5C=C(Cl)C(=CC5)OC=6C=C7[C@](C(=O)N[C@](C=8C=C2C(O)=CC8)(C(=O)N3)[H])(NC(=O)[C@@]9(C=%10C=C(OC=%11C=C([C@@H](N)C(=O)N[C@@](C(=O)N9)(CC=%12C=C(Cl)C(OC(=C7)C6O)=CC%12)[H])C=CC%11O)C=C(O)C%10)[H])[H])[H])=CC(O)=C1)[C@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%13O

Canonical SMILES

O=C(O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)C5=CC=C(O)C(OC6=CC(O)=CC4=C6)=C5)CC7=CC=C(OC=8C=C3C=C(OC9=CC=C(C=C9Cl)C2OC%10OC(CO)C(O)C(O)C%10NC(=O)C)C8O)C(Cl)=C7)C=%11C=CC(O)=C(C%11)C%12=C(OC%13OC(CO)C(O)C(O)C%13O)C=C(O)C=C%121

Other Names for this Substance

  • Ristomycin A aglycone, 34-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-α-D-mannopyranosyl-
  • 1H,15H,34H-20,23:30,33-Dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-[1,14,6,22]dioxadiazacyclooctacosino[4,5-m][10,2,16]benzoxadiazacyclotetracosine, ristomycin A aglycone deriv.
  • 34-O-[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-α-D-mannopyranosylristomycin A aglycone
  • Teicoplanin A 3-1
  • Antibiotic L 17054

Deleted or Replaced CAS Registry Numbers

95105-58-1, 93906-98-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration