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Substance Name: Relaxin porcine
RN: 82658-28-4
UNII: 2BD5112J0I
InChIKey: KDIJRJMOIGOUIB-HWIQUERUSA-N

Molecular Formula

  • C254-H416-N78-O75-S7

Molecular Weight

  • 5917.9507
 
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Names and Synonyms

Name of Substance

  • Relaxin porcine

Synonyms

  • Porcine relaxin CMa
  • Relaxin CMa (pig)
  • UNII-2BD5112J0I

Systematic Name

  • Relaxin (pig B-31-chain reduced), cyclic (10-9'),(22-22')-bis(disulfide) with relaxin (pig A-chain reduced) cyclic (8'-13')-disulfide

Registry Numbers

CAS Registry Number

  • 82658-28-4

FDA UNII

  • 2BD5112J0I

System Generated Number

  • 0082658284

Structure Descriptors

InChI

1S/C251H413N77O74S7/c1-31-124(21)191-238(394)283-129(26)198(354)288-145(65-50-85-272-248(262)263)208(364)301-156(91-117(7)8)219(375)316-172(113-408-409-114-173-231(387)294-148(69-74-175(256)336)214(370)318-187(120(13)14)234(390)281-105-180(341)287-171(233(389)325-193(126(23)33-3)240(396)298-146(66-51-86-273-249(264)265)206(362)290-143(62-43-46-81-253)207(363)305-164(99-186(352)353)225(381)323-191)112-406-407-115-174(232(388)317-173)315-210(366)144(63-44-47-82-254)291-211(367)149(70-75-181(342)343)293-226(382)166(107-330)311-218(374)157(92-118(9)10)307-242(398)195(130(27)333)326-216(372)153(79-89-405-30)289-200(356)138(255)58-48-83-270-246(258)259)230(386)295-151(72-77-183(346)347)213(369)310-167(108-331)228(384)327-197(132(29)335)244(400)309-162(97-176(257)337)220(376)306-163(98-185(350)351)221(377)303-159(94-133-54-36-35-37-55-133)223(379)324-192(125(22)32-2)239(395)297-142(61-42-45-80-252)204(360)282-128(25)199(355)313-169(110-403)202(358)279-102-177(338)284-141(64-49-84-271-247(260)261)205(361)292-150(71-76-182(344)345)212(368)302-158(93-119(11)12)222(378)319-188(121(15)16)235(391)296-147(67-52-87-274-250(266)267)209(365)300-155(90-116(5)6)217(373)304-161(96-135-101-277-140-60-41-39-57-137(135)140)224(380)320-189(122(17)18)236(392)299-152(73-78-184(348)349)215(371)322-194(127(24)34-4)241(397)314-170(111-404)203(359)280-104-179(340)286-165(106-329)227(383)321-190(123(19)20)237(393)312-168(109-332)229(385)328-196(131(28)334)243(399)308-160(95-134-100-276-139-59-40-38-56-136(134)139)201(357)278-103-178(339)285-154(245(401)402)68-53-88-275-251(268)269/h35-41,54-57,59-60,100-101,116-132,138,141-174,187-197,276-277,329-335,403-404H,31-34,42-53,58,61-99,102-115,252-255H2,1-30H3,(H2,256,336)(H2,257,337)(H,278,357)(H,279,358)(H,280,359)(H,281,390)(H,282,360)(H,283,394)(H,284,338)(H,285,339)(H,286,340)(H,287,341)(H,288,354)(H,289,356)(H,290,362)(H,291,367)(H,292,361)(H,293,382)(H,294,387)(H,295,386)(H,296,391)(H,297,395)(H,298,396)(H,299,392)(H,300,365)(H,301,364)(H,302,368)(H,303,377)(H,304,373)(H,305,363)(H,306,376)(H,307,398)(H,308,399)(H,309,400)(H,310,369)(H,311,374)(H,312,393)(H,313,355)(H,314,397)(H,315,366)(H,316,375)(H,317,388)(H,318,370)(H,319,378)(H,320,380)(H,321,383)(H,322,371)(H,323,381)(H,324,379)(H,325,389)(H,326,372)(H,327,384)(H,328,385)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,401,402)(H4,258,259,270)(H4,260,261,271)(H4,262,263,272)(H4,264,265,273)(H4,266,267,274)(H4,268,269,275)/t124-,125-,126-,127-,128-,129-,130+,131+,132+,138-,141-,142-,143-,144-,145-,146-,147-,148-,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-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-/m0/s1

InChIKey

KDIJRJMOIGOUIB-HWIQUERUSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CSSC[C@@H]5NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC5=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc6c[nH]c7ccccc67)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O