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Substance Name: Phallacidinamide
RN: 58286-48-9
InChIKey: IWSGNVOJDCZZCP-UHFFFAOYSA-N

Molecular Formula

  • C36-H49-N9-O11-S

Molecular Weight

  • 845.9269
 
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Names and Synonyms

Results Name

  • Phallacidinamide

Synonym

  • Phallacidinamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58286-48-9

System Generated Number

  • 0058286489

Structure Descriptors

InChI

1S/C37H51N9O12S/c1-15(2)25-33(55)45-26(27(49)28(38)50)34(56)42-23-13-59-35-19(18-7-5-6-8-20(18)43-35)10-21(30(52)41-22(31(53)44-25)11-37(4,58)14-47)40-29(51)16(3)39-32(54)24-9-17(48)12-46(24)36(23)57/h5-8,15-17,21-27,43,47-49,58H,9-14H2,1-4H3,(H2,38,50)(H,39,54)(H,40,51)(H,41,52)(H,42,56)(H,44,53)(H,45,55)

InChIKey

IWSGNVOJDCZZCP-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)N)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.