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Substance Name: Estatin B
RN: 106396-24-1
InChIKey: IVRMXEFFYRZNCU-UHFFFAOYSA-N

Note

  • From Myceliophthora thermophila M4323.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N5-O6

Molecular Weight

  • 407.424
 
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Names and Synonyms

Name of Substance

  • Estatin B

Synonym

  • Estatin B

Systematic Name

  • Oxiranecarboxylic acid, 3-(((2-((4-((aminoiminomethyl)amino)butyl)amino)-1-((4-hydroxyphenyl)methyl)-2-oxoethyl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 106396-24-1

System Generated Number

  • 0106396241

Structure Descriptors

InChI

1S/C18H25N5O6/c19-18(20)22-8-2-1-7-21-15(25)12(9-10-3-5-11(24)6-4-10)23-16(26)13-14(29-13)17(27)28/h3-6,12-14,24H,1-2,7-9H2,(H,21,25)(H,23,26)(H,27,28)(H4,19,20,22)

InChIKey

IVRMXEFFYRZNCU-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)NCCCCNC(=N)N)Cc1ccc(cc1)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 400mg/kg (400mg/kg)   Journal of Antibiotics. Vol. 42, Pg. 1362, 1989.