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Substance Name: Pro-4-norphalloin
RN: 40290-20-8
InChIKey: GEZAJGFOPRFKLC-UHFFFAOYSA-N

Molecular Formula

  • C34-H46-N8-O8-S

Molecular Weight

  • 726.851
 
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Names and Synonyms

Results Name

  • Pro-4-norphalloin

Synonyms

  • BRN 5418233
  • Norphalloin, 4-L-proline-
  • Pro(sup 4)-norphalloin
  • Pro-4-norphalloin

Systematic Name

  • Cyclic(L-alanyl-D-threonyl-L-cysteinyl-L-prolyl-L-alanyl-2-mercapto-L- tryptophyl-L-norvalyl) cyclic (3-6)-sulfide

Registry Numbers

CAS Registry Number

  • 40290-20-8

System Generated Number

  • 0040290208

Structure Descriptors

InChI

1S/C34H46N8O8S/c1-5-9-22-29(46)35-17(3)28(45)41-26(18(4)43)32(49)39-24-15-51-33-20(19-10-6-7-11-21(19)40-33)14-23(30(47)37-22)38-27(44)16(2)36-31(48)25-12-8-13-42(25)34(24)50/h6-7,10-11,16-18,22-26,40,43H,5,8-9,12-15H2,1-4H3,(H,35,46)(H,36,48)(H,37,47)(H,38,44)(H,39,49)(H,41,45)

InChIKey

GEZAJGFOPRFKLC-UHFFFAOYSA-N

Smiles

C1CCN2C(=O)[C@@H]3NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](Cc4c5ccccc5[nH]c4SC3)NC([C@@H](NC(=O)[C@@H]12)C)=O)=O)CCC)=O)C)=O)[C@@H](O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 8mg/kg (8mg/kg)   CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978.