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Substance Name: Serelaxin [USAN:INN]
RN: 99489-94-8
UNII: W0122B976Y
InChIKey: DTLOVISJEFBXLX-REAFJZEQSA-N

Note

  • RefSeq NM_134441.

Molecular Formula

  • C256-H408-N74-O74-S8

Molecular Weight

  • 5963.0112
 
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Names and Synonyms

Name of Substance

  • Serelaxin [USAN:INN]

Synonyms

  • H2 relaxin, human
  • Human relaxin 2
  • Human relaxin 2 (relaxin H2)
  • Human relaxin II
  • Relaxin H2, human
  • Relaxin-2 protein, human
  • Relexan 2
  • RLX 030
  • RLX030
  • Serelaxin
  • UNII-W0122B976Y

Systematic Names

  • L-Serine, L-alpha-aspartyl-L-seryl-L-tryptophyl-L-methionyl-L-alpha-glutamyl-L-alpha-glutamyl-L-valyl- L-isoleucyl-L-lysyl-L-leucyl-L-cysteinylglycyl-L-arginyl-L-alpha-glutamyl-L-leucyl-L-valyl-L- arginyl-L-alanyl-L-glutaminyl-L-isoleucyl-L-alanyl-L-isoleucyl-L-cysteinylglycyl-L- methionyl-L-seryl-L-threonyl-L-tryptophyl-, cyclic (11->11'),(23->24')-bis(disulfide) with 5-oxo-L-prolyl-L-leucyl-L-tyrosyl-L-seryl-L-alanyl-L-leucyl-L-alanyl-L-asparaginyl-L-lysyl-L- cysteinyl-L-cysteinyl-L-histidyl-L-valylglycyl-L-cysteinyl-L-threonyl-L-lysyl-L-arginyl-L- seryl-L-leucyl-L-alanyl-L-arginyl-L-phenylalanyl-L-cysteine cyclic (10'->15')-disulfide
  • Relaxin II (human)

Registry Numbers

CAS Registry Number

  • 99489-94-8

FDA UNII

  • W0122B976Y

Other Registry Numbers

  • 1314115-34-8
  • 132187-81-6

System Generated Number

  • 0099489948

Structure Descriptors

InChI

1S/C256H408N74O74S8/c1-32-128(20)198-246(396)286-135(27)207(357)326-199(129(21)33-2)248(398)321-180(210(360)279-106-189(343)289-161(79-88-405-30)221(371)315-177(111-334)239(389)329-202(137(29)337)250(400)312-171(232(382)317-178(112-335)251(401)402)98-141-103-277-148-57-41-39-55-145(141)148)114-408-412-118-184(252(403)404)322-230(380)168(95-138-52-36-35-37-53-138)308-215(365)154(63-50-86-274-255(267)268)291-203(353)132(24)283-226(376)164(91-121(6)7)307-238(388)176(110-333)314-216(366)155(64-51-87-275-256(269)270)293-213(363)151(59-43-46-82-258)301-249(399)201(136(28)336)330-242(392)181-115-409-411-117-183(319-217(367)150(58-42-45-81-257)294-233(383)173(101-186(262)340)303-206(356)133(25)284-225(375)163(90-120(4)5)302-205(355)134(26)285-236(386)174(108-331)316-229(379)169(96-139-65-67-143(338)68-66-139)309-227(377)165(92-122(8)9)305-218(368)156-70-75-187(341)287-156)241(391)320-182(240(390)311-172(99-142-104-271-119-281-142)235(385)323-195(125(14)15)243(393)280-107-190(344)290-181)116-410-407-113-179(209(359)278-105-188(342)288-149(61-48-84-272-253(263)264)212(362)295-159(72-77-192(347)348)220(370)306-167(94-124(12)13)234(384)325-196(126(16)17)244(394)299-153(62-49-85-273-254(265)266)211(361)282-131(23)204(354)292-157(224(374)327-198)69-74-185(261)339)318-228(378)166(93-123(10)11)304-214(364)152(60-44-47-83-259)300-247(397)200(130(22)34-3)328-245(395)197(127(18)19)324-223(373)160(73-78-193(349)350)297-219(369)158(71-76-191(345)346)296-222(372)162(80-89-406-31)298-231(381)170(97-140-102-276-147-56-40-38-54-144(140)147)310-237(387)175(109-332)313-208(358)146(260)100-194(351)352/h35-41,52-57,65-68,102-104,119-137,146,149-184,195-202,276-277,331-338H,32-34,42-51,58-64,69-101,105-118,257-260H2,1-31H3,(H2,261,339)(H2,262,340)(H,271,281)(H,278,359)(H,279,360)(H,280,393)(H,282,361)(H,283,376)(H,284,375)(H,285,386)(H,286,396)(H,287,341)(H,288,342)(H,289,343)(H,290,344)(H,291,353)(H,292,354)(H,293,363)(H,294,383)(H,295,362)(H,296,372)(H,297,369)(H,298,381)(H,299,394)(H,300,397)(H,301,399)(H,302,355)(H,303,356)(H,304,364)(H,305,368)(H,306,370)(H,307,388)(H,308,365)(H,309,377)(H,310,387)(H,311,390)(H,312,400)(H,313,358)(H,314,366)(H,315,371)(H,316,379)(H,317,382)(H,318,378)(H,319,367)(H,320,391)(H,321,398)(H,322,380)(H,323,385)(H,324,373)(H,325,384)(H,326,357)(H,327,374)(H,328,395)(H,329,389)(H,330,392)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,401,402)(H,403,404)(H4,263,264,272)(H4,265,266,273)(H4,267,268,274)(H4,269,270,275)/t128-,129-,130-,131-,132-,133-,134-,135-,136+,137+,146-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,195-,196-,197-,198-,199-,200-,201-,202-/m0/s1

InChIKey

DTLOVISJEFBXLX-REAFJZEQSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)[C@@H](C)CC)CCC(=O)N)C)CCCNC(=N)N)C(C)C)CC(C)C)CCC(=O)O)CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2)C(C)C)Cc5cnc[nH]5)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6ccc(cc6)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]7CCC(=O)N7)[C@@H](C)O)CCCCN)CCCNC(=N)N)CO)CC(C)C)C)CCCNC(=N)N)Cc8ccccc8)C(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc9c[nH]c1c9cccc1)C(=O)N[C@@H](CO)C(=O)O