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Substance Name: Phallacidinmethylamide
RN: 58286-49-0
InChIKey: YZKXNXBCQNLRIF-UHFFFAOYSA-N

Molecular Formula

  • C37-H51-N9-O11-S

Molecular Weight

  • 859.9537
 
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Names and Synonyms

Results Name

  • Phallacidinmethylamide

Synonym

  • Phallacidinmethylamide

Systematic Name

  • cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-2-amino-3-methylamido-propanedioyl-L-cysteinyl-cis-4-hydroxy-L-prolyl)cyclic (2-6)-sulfide

Registry Numbers

CAS Registry Number

  • 58286-49-0

System Generated Number

  • 0058286490

Structure Descriptors

InChI

1S/C38H53N9O12S/c1-16(2)26-33(55)46-27(28(50)35(57)39-5)34(56)43-24-14-60-36-20(19-8-6-7-9-21(19)44-36)11-22(30(52)42-23(31(53)45-26)12-38(4,59)15-48)41-29(51)17(3)40-32(54)25-10-18(49)13-47(25)37(24)58/h6-9,16-18,22-28,44,48-50,59H,10-15H2,1-5H3,(H,39,57)(H,40,54)(H,41,51)(H,42,52)(H,43,56)(H,45,53)(H,46,55)

InChIKey

YZKXNXBCQNLRIF-UHFFFAOYSA-N

Smiles

CC1C(=O)NC2Cc3c4ccccc4[nH]c3SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C(C)C)C(C(=O)NC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3mg/kg (3mg/kg)   CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978.