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Substance Name: Actinocylbis(threonyl-D-valylproline meethyl ester)
RN: 66682-48-2
InChIKey: JNJKXORSJQNNCK-UHFFFAOYSA-N

Molecular Formula

  • C46-H62-N8-O14

Molecular Weight

  • 951.038
 
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Names and Synonyms

Results Name

  • Actinocylbis(threonyl-D-valylproline meethyl ester)

Synonym

  • Actinocylbis(threonyl-D-valylproline meethyl ester)

Systematic Name

  • Actinomycindioic D acid, 4A-de(N-methylglycine)-4B-de(N-methylglycine)-5A-de(N-methyl-L-valine)-5B-de(N-methyl-L-valine)-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 66682-48-2

System Generated Number

  • 0066682482

Structure Descriptors

InChI

1S/C46H62N8O14/c1-19(2)30(43(62)53-17-11-13-26(53)45(64)66-9)49-41(60)32(23(7)55)51-39(58)25-16-15-21(5)37-34(25)48-35-28(29(47)36(57)22(6)38(35)68-37)40(59)52-33(24(8)56)42(61)50-31(20(3)4)44(63)54-18-12-14-27(54)46(65)67-10/h15-16,19-20,23-24,26-27,30-33,55-56H,11-14,17-18,47H2,1-10H3,(H,49,60)(H,50,61)(H,51,58)(H,52,59)

InChIKey

JNJKXORSJQNNCK-UHFFFAOYSA-N

Smiles

c1(c(c(c2oc3c(c(C(N[C@@H](C(N[C@@H](C(N4[C@@H](CCC4)C(OC)=O)=O)C(C)C)=O)[C@@H](C)O)=O)ccc3C)nc2c1C(N[C@@H](C(=O)N[C@@H](C(=O)N1[C@@H](C(OC)=O)CCC1)C(C)C)[C@@H](C)O)=O)C)=O)N