36-(2-Amino-2-carboxyethyl)-36-de(2,3-diamino-3-oxopropyl)-N1-[3-(dimethylsulfonio)propyl]bleomycinamide

CAS Registry Number®

65154-36-1

CAS Name

36-(2-Amino-2-carboxyethyl)-36-de(2,3-diamino-3-oxopropyl)-N1-[3-(dimethylsulfonio)propyl]bleomycinamide

Molecular Formula

C55H83N16O22S3

Molecular Mass

1416.54

Cite this Page

36-(2-Amino-2-carboxyethyl)-36-de(2,3-diamino-3-oxopropyl)-N1-[3-(dimethylsulfonio)propyl]bleomycinamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65154-36-1 (retrieved 2025-03-14) (CAS RN: 65154-36-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H82N16O22S3/c1-20-33(68-45(71-44(20)58)25(12-31(57)75)63-13-24(56)52(86)87)49(84)70-35(41(26-14-60-19-64-26)91-54-43(39(79)37(77)29(15-72)90-54)92-53-40(80)42(93-55(59)88)38(78)30(16-73)89-53)50(85)65-22(3)36(76)21(2)46(81)69-34(23(4)74)48(83)62-10-8-32-66-28(18-94-32)51-67-27(17-95-51)47(82)61-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,63,72-74,76-80H,7-13,15-16,56H2,1-6H3,(H12-,57,58,59,60,61,62,64,65,68,69,70,71,75,81,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/m0/s1

InChIKey

InChIKey=LEWBSQHVMFJVKL-UAPAGMARSA-O

SMILES

[C@H]([C@H](NC(=O)C1=NC([C@@H](NC[C@@H](C(O)=O)N)CC(N)=O)=NC(N)=C1C)C(N[C@@H]([C@H]([C@@H](C(N[C@H](C(NCCC2=NC(=CS2)C3=NC(C(NCCC[S+](C)C)=O)=CS3)=O)[C@@H](C)O)=O)C)O)C)=O)(O[C@H]4[C@@H](O[C@@H]5[C@@H](O)[C@@H](OC(N)=O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@H](CO)O4)C6=CN=CN6

Canonical SMILES

O=C(OC1C(O)C(OC(CO)C1O)OC2C(OC(C3=CN=CN3)C(NC(=O)C4=NC(=NC(N)=C4C)C(NCC(N)C(=O)O)CC(=O)N)C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)C(O)C)C)OC(CO)C(O)C2O)N

Other Names for this Substance

  • Bleomycinamide, 36-(2-amino-2-carboxyethyl)-36-de(2,3-diamino-3-oxopropyl)-N1-[3-(dimethylsulfonio)propyl]-
  • 36-(2-Amino-2-carboxyethyl)-36-de(2,3-diamino-3-oxopropyl)-N1-[3-(dimethylsulfonio)propyl]bleomycinamide
  • Desamidobleomycin A2
  • Deamidobleomycin A2
  • Deaminobleomycin A2

Deleted or Replaced CAS Registry Numbers

71781-83-4

CAS INSIGHTSTM
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