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Substance Name: Estatin A
RN: 106455-06-5
UNII: 03VDV3X53E
InChIKey: CDANUSUTFSNLOG-HSBZDZAISA-N

Note

  • From Myceliophthora thermophila M4323.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N5-O5

Molecular Weight

  • 391.4255
 
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Names and Synonyms

Name of Substance

  • Estatin A

Synonyms

  • Estatin A
  • UNII-03VDV3X53E

Systematic Name

  • Oxiranecarboxylic acid, 3-(((2-((4-((aminoiminomethyl)amino)butyl)amino)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 106455-06-5

FDA UNII

  • 03VDV3X53E

System Generated Number

  • 0106455065

Structure Descriptors

InChI

1S/C18H25N5O5/c19-18(20)22-9-5-4-8-21-15(24)12(10-11-6-2-1-3-7-11)23-16(25)13-14(28-13)17(26)27/h1-3,6-7,12-14H,4-5,8-10H2,(H,21,24)(H,23,25)(H,26,27)(H4,19,20,22)/t12-,13?,14?/m0/s1

InChIKey

CDANUSUTFSNLOG-HSBZDZAISA-N

Smiles

NC(=N)NCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C2OC2C(=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.