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Substance Name: Astin A
RN: 151201-75-1
InChIKey: KIIUEGNDXIENBT-DZOKUYDTSA-N

Note

  • Cyclic pentapeptide from Aster tataricus.

Molecular Formula

  • C25-H33-Cl2-N5-O7

Molecular Weight

  • 586.47
 
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Names and Synonyms

Results Name

  • Astin A

Synonym

  • Astin A

Systematic Name

  • Cyclo((3R)-3-phenyl-beta-alanyl-L-allothreonyl-(3S,4R)-3,4-dichloro-L-prolyl-(2S)-2-aminobutanoyl-L-seryl)

Registry Numbers

CAS Registry Number

  • 151201-75-1

System Generated Number

  • 0151201751

Structure Descriptors

InChI

1S/C25H33Cl2N5O7/c1-3-17(29)23(38)32(24(39)20-18(27)16(26)10-30-20)25(11-33,12-34)21(36)19(13(2)35)31-22(37)15(9-28)14-7-5-4-6-8-14/h4-8,11,13,15-16,18-20,29-30,34-35H,3,9-10,12,28H2,1-2H3,(H,31,37)/t13-,15?,16+,18+,19-,20-,25+/m0/s1

InChIKey

KIIUEGNDXIENBT-DZOKUYDTSA-N

Smiles

C([C@@](N(C(C(CC)=N)=O)C([C@H]1NC[C@H]([C@H]1Cl)Cl)=O)(CO)C([C@@H](NC([C@@H](CN)c1ccccc1)=O)[C@H](C)O)=O)=O