Teicoplanin A 2-5

CAS Registry Number®

91032-38-1
No image available.

CAS Name

Teicoplanin A 2-5

Molecular Formula

C89H99Cl2N9O33

Molecular Mass

1893.68

Cite this Page

Teicoplanin A 2-5.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91032-38-1 (retrieved 2024-04-22) (CAS RN: 91032-38-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C89H99Cl2N9O33/c1-34(2)9-7-5-4-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t49-,58-,59-,60-,63-,64-,65+,66-,67+,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1

InChIKey

InChIKey=FHBQKTSCJKPYIO-RLDSMAAISA-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[C@H]%13[C@H](NC(CCCCCCCC(C)C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O%13)=CC%12)[H])C=CC%11O)C=C(O)C%10)[H])[H])[H])=CC(O)=C1)[C@H]%14O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%14O

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)C8OC%11OC(CO)C(O)C(O)C%11NC(=O)CCCCCCCC(C)C)C(Cl)=C7)C%12=CC=C(O)C(=C%12)C%13=C(OC%14OC(CO)C(O)C(O)C%14O)C=C(O)C=C%131

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-56-O-[2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-β-D-glucopyranosyl]-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-56-O-[2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosylristomycin A aglycone
  • Teicoplanin A 2-5
  • Teichomycin A2 factor 5

Deleted or Replaced CAS Registry Numbers

88895-87-8

CAS INSIGHTSTM
Insights teaser
Insights teaser
Insights teaser
Insights teaser