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Substance Name: Phallacidindimethylamide
RN: 58286-50-3
InChIKey: QZMKDJCSICPUBN-UHFFFAOYSA-N

Molecular Formula

  • C38-H53-N9-O11-S

Molecular Weight

  • 873.9805
 
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Names and Synonyms

Results Name

  • Phallacidindimethylamide

Synonym

  • Phallacidindimethylamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58286-50-3

System Generated Number

  • 0058286503

Structure Descriptors

InChI

1S/C39H55N9O12S/c1-17(2)27-34(56)46-28(29(51)38(59)47(5)6)35(57)43-25-15-61-36-21(20-9-7-8-10-22(20)44-36)12-23(31(53)42-24(32(54)45-27)13-39(4,60)16-49)41-30(52)18(3)40-33(55)26-11-19(50)14-48(26)37(25)58/h7-10,17-19,23-29,44,49-51,60H,11-16H2,1-6H3,(H,40,55)(H,41,52)(H,42,53)(H,43,57)(H,45,54)(H,46,56)

InChIKey

QZMKDJCSICPUBN-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(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7mg/kg (7mg/kg)   CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978.