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Substance Name: beta-Endorphin (1-18)
RN: 69977-04-4
InChIKey: FEJPTCGGNINREU-UEXFLKRQSA-N

Molecular Formula

  • C92-H140-N20-O28-S

Molecular Weight

  • 2006.296
 
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Names and Synonyms

Name of Substance

  • beta-Endorphin (1-18)

Synonym

  • beta-Endorphin-(1-18)

Systematic Names

  • alpha-Endorphin (sheep), 16a-L-leucine-16b-L-phenylalanine-
  • alpha-Endorphin, 16a-L-leucine-16b-L-phenylalanine-, (3aS-(2Z,3aalpha,4alpha(1E,3R*),5beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 69977-04-4

System Generated Number

  • 0069977044

Structure Descriptors

InChI

1S/C92H140N20O28S/c1-47(2)38-62(82(129)105-65(92(139)140)42-54-22-15-12-16-23-54)104-89(136)75(51(8)116)110-88(135)73(49(5)6)108-84(131)63(39-48(3)4)103-87(134)68-25-19-36-112(68)91(138)76(52(9)117)111-80(127)59(30-32-69(95)119)100-85(132)66(45-113)106-78(125)58(24-17-18-35-93)99-79(126)60(31-33-72(122)123)101-86(133)67(46-114)107-90(137)74(50(7)115)109-81(128)61(34-37-141-10)102-83(130)64(41-53-20-13-11-14-21-53)98-71(121)44-96-70(120)43-97-77(124)57(94)40-55-26-28-56(118)29-27-55/h11-16,20-23,26-29,47-52,57-68,73-76,113-118H,17-19,24-25,30-46,93-94H2,1-10H3,(H2,95,119)(H,96,120)(H,97,124)(H,98,121)(H,99,126)(H,100,132)(H,101,133)(H,102,130)(H,103,134)(H,104,136)(H,105,129)(H,106,125)(H,107,137)(H,108,131)(H,109,128)(H,110,135)(H,111,127)(H,122,123)(H,139,140)/t50-,51-,52-,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,73+,74+,75+,76+/m1/s1

InChIKey

FEJPTCGGNINREU-UEXFLKRQSA-N

Smiles

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4ccccc4)C(=O)O