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Substance Name: 21-Aminoepothilone D
RN: 289494-44-6
InChIKey: TZQJACKEBFWOID-IVSQCGTASA-N

Molecular Formula

  • C27-H42-N2-O5-S

Molecular Weight

  • 506.7038
 
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Names and Synonyms

Results Name

  • 21-Aminoepothilone D

Synonym

  • 21-Aminoepothilone D

Systematic Name

  • Oxacyclohexadec-13-ene-2,6-dione, 16-((1E)-2-(2-(aminomethyl)-4-thiazolyl)-1-methylethenyl)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-, (4S,7R,8S,9S,13Z,16S)-

Registry Numbers

CAS Registry Number

  • 289494-44-6

System Generated Number

  • 0289494446

Structure Descriptors

InChI

1S/C27H42N2O5S/c1-16-8-7-9-17(2)25(32)19(4)26(33)27(5,6)22(30)13-24(31)34-21(11-10-16)18(3)12-20-15-35-23(14-28)29-20/h10,12,15,17,19,21-22,25,30,32H,7-9,11,13-14,28H2,1-6H3/b16-10-,18-12+/t17-,19+,21-,22-,25-/m0/s1

InChIKey

TZQJACKEBFWOID-IVSQCGTASA-N

Smiles

C[C@H]1CCC\C(=C/C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)\C(=C\c2csc(CN)n2)\C)\C