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Substance Name: Res 701-1
RN: 151308-34-8
InChIKey: GKJHBAGJUMHZCI-WOMVBXCFSA-N

Note

  • A cyclic polypeptide consisting of 16 amino acids; isolated from Streptomyces sp RE-701; an ET(B) endothelin receptor antagonist.

Classification Code

  • Endothelin Receptor Antagonists

Molecular Formula

  • C103-H115-N23-O23

Molecular Weight

  • 2043.18
 
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Names and Synonyms

Name of Substance

  • Res 701-1

Synonym

  • Res-701-1

Systematic Name

  • L-Tryptophan, glycyl-L-asparaginyl-L-tryptophyl-L-histidylglycyl-L-threonyl-L-alanyl-L-prolyl-L-alpha-aspartyl-L-tryptophyl-L-phenylalanyl-L-phenylalanyl-L-asparaginyl-L-tyrosyl-L-tyrosyl-, cyclic (9-1)-peptide

Registry Numbers

CAS Registry Number

  • 151308-34-8

System Generated Number

  • 0151308348

Structure Descriptors

InChI

1S/C103H115N23O23/c1-54-102(147)126-35-15-26-83(126)100(145)123-81(46-85(131)110-51-87(133)114-72(90(105)135)45-86(132)115-77(40-60-47-107-69-23-12-9-20-66(60)69)96(141)121-79(43-63-50-106-53-112-63)91(136)111-52-88(134)125-89(55(2)127)101(146)113-54)99(144)120-78(41-61-48-108-70-24-13-10-21-67(61)70)97(142)118-73(36-56-16-5-3-6-17-56)92(137)116-74(37-57-18-7-4-8-19-57)94(139)122-80(44-84(104)130)98(143)119-75(38-58-27-31-64(128)32-28-58)93(138)117-76(39-59-29-33-65(129)34-30-59)95(140)124-82(103(148)149)42-62-49-109-71-25-14-11-22-68(62)71/h3-14,16-25,27-34,47-50,53-55,72-83,89,107-109,127-129H,15,26,35-46,51-52H2,1-2H3,(H2,104,130)(H2,105,135)(H,106,112)(H,110,131)(H,111,136)(H,113,146)(H,114,133)(H,115,132)(H,116,137)(H,117,138)(H,118,142)(H,119,143)(H,120,144)(H,121,141)(H,122,139)(H,123,145)(H,124,140)(H,125,134)(H,148,149)/t54-,55+,72?,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1

InChIKey

GKJHBAGJUMHZCI-WOMVBXCFSA-N

Smiles

N1C(C[C@@H](C(N)=O)NC(CNC(C[C@H](NC([C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC([C@@H](NC([C@@H]1Cc1c3c([nH]c1)cccc3)=O)Cc1[nH]cnc1)=O)[C@@H](C)O)C)CCC2)=O)C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@@H](Cc1c2c([nH]c1)cccc2)C(=O)O)Cc1ccc(O)cc1)=O)Cc1ccc(O)cc1)CC(N)=O)Cc1ccccc1)Cc1ccccc1)=O)Cc1c2c([nH]c1)cccc2)=O)=O)=O