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Substance Name: alpha1-39-Corticotropin (pig)
RN: 9061-27-2
InChIKey: XFBDTKGDXZDJAN-WODOTNDISA-N

Molecular Formula

  • C210-H314-N56-O57-S

Molecular Weight

  • 4567.1916
 
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Names and Synonyms

Synonym

  • EINECS 232-946-7

Systematic Name

  • alpha1-39-Corticotropin (pig)

Registry Numbers

CAS Registry Number

  • 9061-27-2

System Generated Number

  • 0009061272

Structure Descriptors

InChI

1S/C210H314N56O57S/c1-110(2)91-143(189(304)234-116(12)173(288)237-135(68-73-163(275)276)178(293)233-117(13)174(289)256-151(95-119-43-20-16-21-44-119)205(320)265-88-37-56-155(265)196(311)254-144(92-111(3)4)190(305)243-139(72-77-167(283)284)186(301)258-153(207(322)323)97-120-45-22-17-23-46-120)249-184(299)138(71-76-166(281)282)244-194(309)150(101-168(285)286)253-183(298)136(69-74-164(277)278)238-172(287)115(11)232-160(272)104-228-177(292)149(100-159(216)271)255-197(312)156-57-38-89-266(156)206(321)152(96-122-62-66-126(270)67-63-122)257-202(317)170(113(7)8)260-188(303)132(51-28-32-81-213)246-201(316)171(114(9)10)262-199(314)158-59-40-87-264(158)204(319)142(55-36-85-226-210(221)222)247-181(296)133(53-34-83-224-208(217)218)240-180(295)131(50-27-31-80-212)239-179(294)130(49-26-30-79-211)235-161(273)106-230-200(315)169(112(5)6)261-198(313)157-58-39-86-263(157)203(318)141(52-29-33-82-214)236-162(274)105-229-176(291)147(98-123-102-227-129-48-25-24-47-127(123)129)251-182(297)134(54-35-84-225-209(219)220)241-191(306)146(93-118-41-18-15-19-42-118)250-193(308)148(99-124-103-223-109-231-124)252-185(300)137(70-75-165(279)280)242-187(302)140(78-90-324-14)245-195(310)154(108-268)259-192(307)145(248-175(290)128(215)107-267)94-121-60-64-125(269)65-61-121/h15-25,41-48,60-67,102-103,109-117,128,130-158,169-171,227,267-270H,26-40,49-59,68-101,104-108,211-215H2,1-14H3,(H2,216,271)(H,223,231)(H,228,292)(H,229,291)(H,230,315)(H,232,272)(H,233,293)(H,234,304)(H,235,273)(H,236,274)(H,237,288)(H,238,287)(H,239,294)(H,240,295)(H,241,306)(H,242,302)(H,243,305)(H,244,309)(H,245,310)(H,246,316)(H,247,296)(H,248,290)(H,249,299)(H,250,308)(H,251,297)(H,252,300)(H,253,298)(H,254,311)(H,255,312)(H,256,289)(H,257,317)(H,258,301)(H,259,307)(H,260,303)(H,261,313)(H,262,314)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,322,323)(H4,217,218,224)(H4,219,220,225)(H4,221,222,226)/t115-,116-,117-,128-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,169-,170-,171-/m0/s1

InChIKey

XFBDTKGDXZDJAN-WODOTNDISA-N

Smiles

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc8c[nH]c9c8cccc9)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CO)N