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Substance Name: Snf 8814
RN: 137442-16-1
InChIKey: KPCINFLGUVQMLR-ZELKHWSYSA-N

Molecular Formula

  • C56-H68-N10-O13

Molecular Weight

  • 1089.2102
 
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Names and Synonyms

Name of Substance

  • Snf 8814

Synonyms

  • Asp-beta-CH2-tyr-phe-gly-trp-N-Ch2-nle-asp-phe-amide
  • Aspartyl-beta-methyl-tyrosyl-phenylalanyl-glycyl-tryptophyl-N-methyl-norleucyl-aspartyl-phenylalaninamide
  • Snf-8814

Systematic Name

  • L-Phenylalaninamide, L-alpha-aspartyl-threo-beta-methyl-L-tryosyl-L-phenylalanylglycyl-L-tryptophyl-N-methyl-L-norleucyl-L-alpha-aspartyl-

Registry Numbers

CAS Registry Number

  • 137442-16-1

System Generated Number

  • 0137442161

Structure Descriptors

InChI

1S/C56H68N10O13/c1-4-5-20-45(54(77)63-43(29-48(71)72)53(76)62-41(50(58)73)25-33-14-8-6-9-15-33)66(3)56(79)44(27-36-30-59-40-19-13-12-18-38(36)40)61-46(68)31-60-52(75)42(26-34-16-10-7-11-17-34)64-55(78)49(65-51(74)39(57)28-47(69)70)32(2)35-21-23-37(67)24-22-35/h6-19,21-24,30,32,39,41-45,49,59,67H,4-5,20,25-29,31,57H2,1-3H3,(H2,58,73)(H,60,75)(H,61,68)(H,62,76)(H,63,77)(H,64,78)(H,65,74)(H,69,70)(H,71,72)/t32-,39+,41+,42+,43+,44+,45+,49+/m1/s1

InChIKey

KPCINFLGUVQMLR-ZELKHWSYSA-N

Smiles

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)N(C)C(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CNC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@H](C)c5ccc(cc5)O)NC(=O)[C@H](CC(=O)O)N