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Substance Name: Atriopeptin 21
RN: 89106-96-7
InChIKey: KLIMXKVHYARVTJ-ZSLGIGMFSA-N

Molecular Formula

  • C83-H137-N29-O30-S2

Molecular Weight

  • 2085.3003
 
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Names and Synonyms

Name of Substance

  • Atriopeptin 21

Synonym

  • Atriopeptin-21

Systematic Name

  • Atrial natriuretic peptide-21 (rat reduced)

Registry Numbers

CAS Registry Number

  • 89106-96-7

System Generated Number

  • 0089106967

Structure Descriptors

InChI

1S/C83H137N29O30S2/c1-8-39(5)64(79(139)97-29-59(120)98-41(7)66(126)102-46(19-20-56(85)117)71(131)108-51(33-114)70(130)96-30-61(122)100-47(23-38(3)4)68(128)95-31-62(123)101-54(36-143)77(137)105-49(25-57(86)118)74(134)109-53(35-116)81(141)142)111-73(133)45(18-14-22-92-83(89)90)103-75(135)50(26-63(124)125)106-80(140)65(40(6)9-2)112-72(132)44(17-13-21-91-82(87)88)99-60(121)28-93-58(119)27-94-69(129)48(24-42-15-11-10-12-16-42)104-78(138)55(37-144)110-76(136)52(34-115)107-67(127)43(84)32-113/h10-12,15-16,38-41,43-55,64-65,113-116,143-144H,8-9,13-14,17-37,84H2,1-7H3,(H2,85,117)(H2,86,118)(H,93,119)(H,94,129)(H,95,128)(H,96,130)(H,97,139)(H,98,120)(H,99,121)(H,100,122)(H,101,123)(H,102,126)(H,103,135)(H,104,138)(H,105,137)(H,106,140)(H,107,127)(H,108,131)(H,109,134)(H,110,136)(H,111,133)(H,112,132)(H,124,125)(H,141,142)(H4,87,88,91)(H4,89,90,92)/t39-,40-,41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,64-,65-/m0/s1

InChIKey

KLIMXKVHYARVTJ-ZSLGIGMFSA-N

Smiles

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