Bleomycinic acid

CAS Registry Number®

37364-66-2

CAS Name

Bleomycinic acid

Molecular Formula

C50H72N16O22S2

Molecular Mass

1313.33

Cite this Page

Bleomycinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37364-66-2 (retrieved 2024-11-22) (CAS RN: 37364-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C50H72N16O22S2/c1-15-28(63-41(66-39(15)53)20(7-26(52)70)58-8-19(51)40(54)76)44(79)65-30(36(21-9-56-14-59-21)86-49-38(34(74)32(72)24(10-67)85-49)87-48-35(75)37(88-50(55)83)33(73)25(11-68)84-48)45(80)60-17(3)31(71)16(2)42(77)64-29(18(4)69)43(78)57-6-5-27-61-22(12-89-27)46-62-23(13-90-46)47(81)82/h9,12-14,16-20,24-25,29-38,48-49,58,67-69,71-75H,5-8,10-11,51H2,1-4H3,(H2,52,70)(H2,54,76)(H2,55,83)(H,56,59)(H,57,78)(H,60,80)(H,64,77)(H,65,79)(H,81,82)(H2,53,63,66)

InChIKey

InChIKey=MRNLLBXPSWMYCK-UHFFFAOYSA-N

SMILES

C(C(NC(=O)C1=NC(C(NCC(C(N)=O)N)CC(N)=O)=NC(N)=C1C)C(NC(C(C(C(NC(C(NCCC2=NC(=CS2)C3=NC(C(O)=O)=CS3)=O)C(C)O)=O)C)O)C)=O)(OC4C(OC5C(O)C(OC(N)=O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C6=CN=CN6

Canonical SMILES

O=C(O)C=1N=C(SC1)C=2N=C(SC2)CCNC(=O)C(NC(=O)C(C)C(O)C(NC(=O)C(NC(=O)C=3N=C(N=C(N)C3C)C(NCC(N)C(=O)N)CC(=O)N)C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(OC(=O)N)C5O)C6=CN=CN6)C)C(O)C

Other Names for this Substance

  • Bleomycinic acid
  • Bleomycin acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration