Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: PYX 1
RN: 140842-17-7
InChIKey: LNUMCIVYAIEPPL-XFBIFGDYSA-N

Molecular Formula

  • C70-H108-Cl2-N19-O16

Molecular Weight

  • 1539.6225
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • PYX 1

Synonyms

  • Ac-Tyr-3-(Cl2Bzl)-ile-asn-leu-ile-D-thr-arg-gln-arg-tyr-NH2
  • N-Acetyl-O((2,6-dichlorophenyl)methyl)-L-tyrosyl-L-isoleucyl-L-asparaginyl-L-leucyl-L-isoleucyl-D-threonyl-L-anginyl-L-glutaminyl-L-arginyl-L-tyrosine
  • PYX-1

Systematic Name

  • L-Tyrosine, N-acetyl-O((2,6-dichlorophenyl)methyl)-L-tyrosyl-L-isoleucyl-L-asparaginyl-L-leucyl-L-isoleucyl-D-threonyl-L-anginyl-L-glutaminyl-L-arginyl-

Registry Numbers

CAS Registry Number

  • 140842-17-7

System Generated Number

  • 0140842177

Structure Descriptors

InChI

1S/C70H105Cl2N19O16/c1-9-35(5)56(89-65(104)51(82-38(8)93)31-40-20-24-53(95)41(29-40)32-43-44(71)14-11-15-45(43)72)66(105)88-52(33-55(74)97)63(102)87-50(28-34(3)4)64(103)90-57(36(6)10-2)67(106)91-58(37(7)92)68(107)85-47(17-13-27-81-70(78)79)60(99)84-48(23-25-54(73)96)62(101)83-46(16-12-26-80-69(76)77)61(100)86-49(59(75)98)30-39-18-21-42(94)22-19-39/h11,14-15,18-22,24,29,34-37,46-52,56-58,92,94-95H,9-10,12-13,16-17,23,25-28,30-33H2,1-8H3,(H2,73,96)(H2,74,97)(H2,75,98)(H,82,93)(H,83,101)(H,84,99)(H,85,107)(H,86,100)(H,87,102)(H,88,105)(H,89,104)(H,90,103)(H,91,106)(H4,76,77,80)(H4,78,79,81)/t35-,36-,37-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58+/m0/s1

InChIKey

LNUMCIVYAIEPPL-XFBIFGDYSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N)NC(=O)[C@H](Cc2ccc(c(c2)Cc3c(cccc3Cl)Cl)O)NC(=O)C