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Substance Name: Tallysomycin
RN: 67995-68-0
UNII: UZ62U8421A
InChIKey: HAIWEKGFOVTOQS-NMUUNWPTSA-N

Note

  • Contains components A & B; glycopeptide related to bleomycin antibiotic from actinomycetes strain 6465-94.

Molecular Weight

  • 3363.6318
 

Classification Code

  • Antineoplastic
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Names and Synonyms

Name of Substance

  • Tallysomycin

Synonyms

  • BU 2231
  • Talisomycin
  • Tallysomycin
  • Tallysomycin A
  • UNII-UZ62U8421A

Systematic Name

  • Tallysomycin

Registry Numbers

CAS Registry Number

  • 67995-68-0

FDA UNII

  • UZ62U8421A

System Generated Number

  • 0067995680

Structure Descriptors

InChI

1S/C69H112N22O27S2.C63H100N20O26S2/c1-25-39(87-55(90-53(25)75)32(19-36(73)93)82-20-31(72)54(76)103)58(106)89-41(50(33-21-79-24-83-33)113-68-52(44(97)46(99)64(110-6)118-68)114-67-48(101)51(115-69(77)109)47(100)65(111-7)117-67)60(108)84-27(3)42(95)26(2)56(104)88-40(28(4)92)59(107)91-61(116-66-45(98)43(96)38(74)29(5)112-66)49(102)63-86-35(23-120-63)62-85-34(22-119-62)57(105)81-16-10-12-30(71)18-37(94)80-17-11-15-78-14-9-8-13-70;1-21-33(79-49(82-47(21)68)27(15-31(66)85)74-16-26(65)48(69)94)52(97)81-35(44(28-17-72-20-75-28)104-62-46(38(88)40(90)58(101-6)109-62)105-61-42(92)45(106-63(70)100)41(91)59(102-7)108-61)54(99)76-23(3)36(86)22(2)50(95)80-34(24(4)84)53(98)83-55(107-60-39(89)37(87)32(67)25(5)103-60)43(93)57-78-30(19-111-57)56-77-29(18-110-56)51(96)73-14-10-13-71-12-9-8-11-64/h21-24,26-32,38,40-52,61,64-68,78,82,92,95-102H,8-20,70-72,74H2,1-7H3,(H2,73,93)(H2,76,103)(H2,77,109)(H,79,83)(H,80,94)(H,81,105)(H,84,108)(H,88,104)(H,89,106)(H,91,107)(H2,75,87,90);17-20,22-27,32,34-46,55,58-62,71,74,84,86-93H,8-16,64-65,67H2,1-7H3,(H2,66,85)(H2,69,94)(H2,70,100)(H,72,75)(H,73,96)(H,76,99)(H,80,95)(H,81,97)(H,83,98)(H2,68,79,82)/t26-,27+,28-,29-,30?,31-,32-,38+,40-,41-,42-,43+,44+,45+,46+,47+,48+,49?,50-,51+,52+,61?,64-,65+,66?,67+,68-;22-,23+,24-,25-,26-,27-,32+,34-,35-,36-,37+,38+,39+,40+,41+,42+,43?,44-,45+,46+,55?,58-,59+,60?,61+,62-/m00/s1

InChIKey

HAIWEKGFOVTOQS-NMUUNWPTSA-N

Smiles

CO[C@H]1O[C@H](O[C@H]([C@H](NC(=O)c2nc(nc(N)c2C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)NC(OC3O[C@@H](C)[C@@H](N)[C@@H](O)[C@H]3O)C(O)c4nc(cs4)c5nc(cs5)C(=O)NCCCNCCCCN)c6c[nH]cn6)[C@H](O[C@@H]7O[C@@H](OC)[C@H](O)[C@@H](OC(=O)N)[C@H]7O)[C@H](O)[C@H]1O.CO[C@H]8O[C@H](O[C@H]([C@H](NC(=O)c9nc(nc(N)c9C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)NC(OC%10O[C@@H](C)[C@@H](N)[C@@H](O)[C@H]%10O)C(O)c%11nc(cs%11)c%12nc(cs%12)C(=O)NCCCC(N)CC(=O)NCCCNCCCCN)c%13c[nH]cn%13)[C@H](O[C@@H]%14O[C@@H](OC)[C@H](O)[C@@H](OC(=O)N)[C@H]%14O)[C@H](O)[C@H]8O