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Substance Name: SC 46542
RN: 121051-68-1
InChIKey: LKQWZAKMZIAUCH-DUFHHEBNSA-N

Molecular Weight

  • 2148.4
 
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Names and Synonyms

Name of Substance

  • SC 46542

Synonyms

  • 106-Dephenylalanyl-107-deglycyl-115-dearginyl-116-deglutamine-atriopeptin (103-126)
  • Anf (103-126), de-phe(106)-de-gly(107)-de-ala(115)-de-gln(116)-
  • Anp (103-126), de-phenylalanyl(106)-de-glycyl(107)-de-alanyl(5)-de-glutamine(116)-
  • Atrial natriuretic factor (103-126), des-phe(106)-des-gly(107)-des-ala(115)-des-gln(116)-
  • Atriopeptin (103-126), des-phe(106)-des-gly(107)-des-ala(115)-des-gln(116)-
  • SC-46542

Systematic Name

  • Atriopeptin-21 (rat reduced), 4-de-L-phenylalanine-5-deglycine-13-de-L-alanine-14-de-L-glutamine-21a-L-phenylalanine-21b-L-arginine-21c-L-tyrosine-

Registry Numbers

CAS Registry Number

  • 121051-68-1

System Generated Number

  • 0121051681

Structure Descriptors

InChI

1S/C88H142N30O29S2/c1-7-43(5)68(117-76(137)51(19-14-26-99-88(95)96)109-79(140)55(31-67(129)130)112-84(145)69(44(6)8-2)118-75(136)49(17-12-24-97-86(91)92)104-63(125)32-102-73(134)60(40-148)116-81(142)58(38-121)114-70(131)48(89)36-119)83(144)103-35-65(127)106-57(37-120)72(133)101-33-64(126)105-52(27-42(3)4)71(132)100-34-66(128)107-61(41-149)82(143)111-54(30-62(90)124)78(139)115-59(39-122)80(141)110-53(28-45-15-10-9-11-16-45)77(138)108-50(18-13-25-98-87(93)94)74(135)113-56(85(146)147)29-46-20-22-47(123)23-21-46/h9-11,15-16,20-23,42-44,48-61,68-69,119-123,148-149H,7-8,12-14,17-19,24-41,89H2,1-6H3,(H2,90,124)(H,100,132)(H,101,133)(H,102,134)(H,103,144)(H,104,125)(H,105,126)(H,106,127)(H,107,128)(H,108,138)(H,109,140)(H,110,141)(H,111,143)(H,112,145)(H,113,135)(H,114,131)(H,115,139)(H,116,142)(H,117,137)(H,118,136)(H,129,130)(H,146,147)(H4,91,92,97)(H4,93,94,98)(H4,95,96,99)/t43-,44-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,68-,69-/m0/s1

InChIKey

LKQWZAKMZIAUCH-DUFHHEBNSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](N)CO)=O)CO)=O)CS)=O)=O)CCCNC(=N)N)=O)[C@H](CC)C)=O)CC(=O)O)=O)CCCNC(=N)N)=O)[C@H](CC)C)=O)=O)CO)=O)=O)CC(C)C)=O)=O)CS)=O)CC(=O)N)=O)CO)=O)Cc1ccccc1)=O)CCCNC(=N)N)=O)Cc1ccc(O)cc1)(=O)O