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Substance Name: Avellanin A
RN: 110297-47-7
InChIKey: RRKPZYIKFBDXNY-KLYJBUPTSA-N

Note

  • From Hamigera avellanea Stolk et Samson; increases blood pressure.

Molecular Weight

  • 561.6791
 
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Names and Synonyms

Name of Substance

  • Avellanin A

Synonym

  • Cyclo(N-Me-phe-ala-ile-2-aminobenzoyl-pro)

Systematic Name

  • Cyclo(D-alanyl-L-isoleucyl-2-aminobenzoyl-L-prolyl-N-methyl-D-phenylalanyl)

Registry Numbers

CAS Registry Number

  • 110297-47-7

System Generated Number

  • 0110297477

Structure Descriptors

InChI

1S/C31H39N5O5/c1-5-19(2)26(35-29(40)20(3)32)27(38)25(21-12-7-6-8-13-21)31(18-37,28(39)22-14-9-10-15-23(22)33)36(4)30(41)24-16-11-17-34-24/h5-10,12-15,18-20,24-26,34H,1,11,16-17,32-33H2,2-4H3,(H,35,40)/t19-,20+,24-,25?,26-,31-/m0/s1

InChIKey

RRKPZYIKFBDXNY-KLYJBUPTSA-N

Smiles

C[C@@H](C=C)[C@@H](C(=O)C(c1ccccc1)[C@@](C=O)(C(=O)c2ccccc2N)N(C)C(=O)[C@@H]3CCCN3)NC(=O)[C@@H](C)N