Talisomycin

CAS Registry Number®

65057-90-1

CAS Name

Talisomycin

Molecular Formula

C68H110N22O27S2

Molecular Mass

1731.86

Cite this Page

Talisomycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65057-90-1 (retrieved 2024-11-22) (CAS RN: 65057-90-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C68H110N22O27S2/c1-25-42(87-57(89-55(25)74)31(16-38(72)95)81-18-30(71)56(75)105)59(107)88-44(52(32-19-78-24-82-32)114-67-54(48(101)45(98)36(20-91)113-67)115-66-50(103)53(116-68(76)110)46(99)37(21-92)112-66)61(109)83-26(2)35(94)17-40(97)86-43(27(3)93)60(108)90-62(117-65-49(102)47(100)41(73)28(4)111-65)51(104)64-85-34(23-119-64)63-84-33(22-118-63)58(106)80-13-7-9-29(70)15-39(96)79-14-8-12-77-11-6-5-10-69/h19,22-24,26-31,35-37,41,43-54,62,65-67,77,81,91-94,98-104H,5-18,20-21,69-71,73H2,1-4H3,(H2,72,95)(H2,75,105)(H2,76,110)(H,78,82)(H,79,96)(H,80,106)(H,83,109)(H,86,97)(H,88,107)(H,90,108)(H2,74,87,89)

InChIKey

InChIKey=VUPBDWQPEOWRQP-UHFFFAOYSA-N

SMILES

C(C(NC(=O)C1=NC(C(NCC(C(N)=O)N)CC(N)=O)=NC(N)=C1C)C(NC(C(CC(NC(C(NC(C(O)C2=NC(=CS2)C3=NC(C(NCCCC(CC(NCCCNCCCCN)=O)N)=O)=CS3)OC4C(O)C(O)C(N)C(C)O4)=O)C(C)O)=O)O)C)=O)(OC5C(OC6C(O)C(OC(N)=O)C(O)C(CO)O6)C(O)C(O)C(CO)O5)C7=CN=CN7

Canonical SMILES

O=C(OC1C(O)C(OC(CO)C1O)OC2C(OC(C3=CN=CN3)C(NC(=O)C=4N=C(N=C(N)C4C)C(NCC(N)C(=O)N)CC(=O)N)C(=O)NC(C)C(O)CC(=O)NC(C(=O)NC(OC5OC(C)C(N)C(O)C5O)C(O)C6=NC(=CS6)C7=NC(=CS7)C(=O)NCCCC(N)CC(=O)NCCCNCCCCN)C(O)C)OC(CO)C(O)C2O)N

Other Names for this Substance

  • Bleomycinamide, N1-[4-amino-6-[[3-[(4-aminobutyl)amino]propyl]amino]-6-oxohexyl]-13-[(4-amino-4,6-dideoxy-α-L-talopyranosyl)oxy]-19-demethyl-12-hydroxy-
  • N1-[4-Amino-6-[[3-[(4-aminobutyl)amino]propyl]amino]-6-oxohexyl]-13-[(4-amino-4,6-dideoxy-α-L-talopyranosyl)oxy]-19-demethyl-12-hydroxybleomycinamide
  • Antibiotic BU 2231A
  • Tallysomycin A
  • Talisomycin A

View All

Deleted or Replaced CAS Registry Numbers

64156-59-8

CAS INSIGHTSTM
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