Teicoplanin A 2-1

CAS Registry Number®

91032-34-7
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CAS Name

Teicoplanin A 2-1

Molecular Formula

C88H95Cl2N9O33

Molecular Mass

1877.64

Cite this Page

Teicoplanin A 2-1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91032-34-7 (retrieved 2024-04-16) (CAS RN: 91032-34-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b8-7-/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1

InChIKey

InChIKey=YMWQIYMUNZBOOV-CFYXQOLXSA-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(CC/C=C\CCCCC)=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)CCC=CCCCCC)C(Cl)=C7)C=%12C=CC(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-[[(4Z)-1-oxo-4-decenyl]amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosyl-
  • 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-[(1-oxo-4-decenyl)amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosyl-, (Z)-
  • 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-[[(4Z)-1-oxo-4-decenyl]amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosylristomycin A aglycone
  • Teicoplanin A 2-1

Deleted or Replaced CAS Registry Numbers

88895-82-3

CAS INSIGHTSTM
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