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Substance Name: K-13 (Ace inhib)
RN: 108890-90-0
InChIKey: HYTQWQKWYAFIQQ-BHXOFZDCSA-N

Molecular Formula

  • C29-H29-N3-O8

Molecular Weight

  • 547.5611
 
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Names and Synonyms

Name of Substance

  • K-13 (Ace inhib)

Systematic Name

  • L-Tyrosine, N-acetyl-L-tyrosyl-L-tyrosyl-3-hydroxy-, cyclic (1-3(sup 3))-ether

Registry Numbers

CAS Registry Number

  • 108890-90-0

System Generated Number

  • 0108890900

Structure Descriptors

InChI

1S/C29H29N3O8/c1-17(33)31-24(13-19-4-9-23(35)10-5-19)28(38)32-21(12-18-2-7-22(34)8-3-18)16-30-25(29(39)40)14-20-6-11-26(36)27(37)15-20/h2-11,13-15,21,30,34-37H,12,16H2,1H3,(H,31,33)(H,32,38)(H,39,40)/b24-13-,25-14+/t21-/m0/s1

InChIKey

HYTQWQKWYAFIQQ-BHXOFZDCSA-N

Smiles

CC(=O)N/C(=C\c1ccc(cc1)O)/C(=O)N[C@@H](Cc2ccc(cc2)O)CN/C(=C/c3ccc(c(c3)O)O)/C(=O)O