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Substance Name: 1,1'-Bis(L-alpha,beta-diaminopropionic acid)actinomycin D
RN: 35761-35-4
InChIKey: TVNRGJHZMXWHCK-UHFFFAOYSA-N

Note

  • Lactam analog of actinomycin D in which threonine residues have been replaced by L-alpha, beta-diaminopropionic acid.

Molecular Formula

  • C60-H84-N14-O14

Molecular Weight

  • 1225.4076
 
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Names and Synonyms

Name of Substance

  • 1,1'-Bis(L-alpha,beta-diaminopropionic acid)actinomycin D

Synonym

  • (Di(1'-L-alpha,beta-diaminopropionic acid))actinomycin D

Systematic Name

  • Actinomycin D, 1A-(3-amino-L-alanine)-1B-(3-amino-L-alanine)-

Registry Numbers

CAS Registry Number

  • 35761-35-4

System Generated Number

  • 0035761354

Structure Descriptors

InChI

1S/C60H84N14O14/c1-27(2)42-59(86)73-21-15-17-36(73)57(84)69(11)25-38(75)71(13)46(29(5)6)55(82)62-23-34(52(79)67-42)64-51(78)33-20-19-31(9)49-44(33)66-45-40(41(61)48(77)32(10)50(45)88-49)54(81)65-35-24-63-56(83)47(30(7)8)72(14)39(76)26-70(12)58(85)37-18-16-22-74(37)60(87)43(28(3)4)68-53(35)80/h19-20,27-30,34-37,42-43,46-47H,15-18,21-26,61H2,1-14H3,(H,62,82)(H,63,83)(H,64,78)(H,65,81)(H,67,79)(H,68,80)

InChIKey

TVNRGJHZMXWHCK-UHFFFAOYSA-N

Smiles

CC(C)C1NC(=O)C(CNC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O)NC(=O)C3=C(N)C(=O)C(=C4Oc5c(C)ccc(C(=O)NC6CNC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)c5N=C34)C