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Substance Name: Tridecaptin C
RN: 67922-31-0
InChIKey: WPHNALIPTSADPN-JCGBKWPZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C74-H117-N17-O21

Molecular Weight

  • 1580.8363
 
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Names and Synonyms

  • Tridecaptin C

Registry Numbers

CAS Registry Number

  • 67922-31-0

System Generated Number

  • 0067922310

Structure Descriptors

InChI

1S/C74H117N17O21/c1-39(2)17-11-9-14-20-45(95)33-57(96)89-60(40(3)4)71(108)84-49(25-28-75)63(100)79-35-58(97)80-54(36-92)69(106)86-53(32-44-34-78-47-22-16-15-21-46(44)47)68(105)87-55(37-93)70(107)83-50(26-29-76)64(101)82-51(27-30-77)65(102)85-52(31-43-18-12-10-13-19-43)67(104)81-48(23-24-59(98)99)66(103)90-62(42(7)8)73(110)91-61(41(5)6)72(109)88-56(38-94)74(111)112/h10,12-13,15-16,18-19,21-22,34,39-42,45,48-56,60-62,78,92-95H,9,11,14,17,20,23-33,35-38,75-77H2,1-8H3,(H,79,100)(H,80,97)(H,81,104)(H,82,101)(H,83,107)(H,84,108)(H,85,102)(H,86,106)(H,87,105)(H,88,109)(H,89,96)(H,90,103)(H,91,110)(H,98,99)(H,111,112)/t45?,48-,49+,50-,51+,52-,53+,54+,55-,56-,60+,61+,62-/m0/s1

InChIKey

WPHNALIPTSADPN-JCGBKWPZSA-N

Smiles

CC(C)CCCCCC(CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CCN)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCN)C(=O)N[C@H](CCN)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CO)C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Antibiotics. Vol. 31, Pg. 646, 1978.