Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Endothelin, big
RN: 122462-75-3
InChIKey: HZZGDPLAJHVHSP-GKHTVLBPSA-N

Molecular Formula

  • Unspecified

Molecular Weight

  • 4282.9168
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

MeSH Heading

  • Endothelin-1

Synonyms

  • Big endothelin
  • Big endothelin-1
  • Big ET-1
  • Endothelin, big
  • Proendothelin (1-38)

Systematic Name

  • Endothelin, big

Registry Numbers

CAS Registry Number

  • 122462-75-3

System Generated Number

  • 0122462753

Structure Descriptors

InChI

1S/C189H282N48O56S5/c1-21-97(17)150(183(287)219-122(68-103-74-198-110-37-27-26-36-108(103)110)167(271)228-146(93(9)10)181(285)220-125(71-139(192)246)169(273)234-152(99(19)243)187(291)237-60-33-41-137(237)178(282)209-114(52-54-143(251)252)158(262)213-124(70-105-76-196-89-202-105)168(272)229-148(95(13)14)182(286)231-149(96(15)16)186(290)236-59-32-42-138(236)179(283)217-119(66-101-43-47-106(244)48-44-101)155(259)200-77-140(247)203-116(62-90(3)4)154(258)199-78-141(248)204-131(82-241)185(289)235-58-31-40-136(235)177(281)208-112(39-30-57-197-189(193)194)157(261)224-132(83-242)188(292)293)233-184(288)151(98(18)22-2)232-170(274)127(73-145(255)256)216-162(266)118(64-92(7)8)210-165(269)123(69-104-75-195-88-201-104)214-174(278)133-85-296-295-84-109(191)153(257)221-128(79-238)173(277)227-134-86-297-298-87-135(176(280)230-147(94(11)12)180(284)218-121(67-102-45-49-107(245)50-46-102)163(267)212-120(164(268)226-133)65-100-34-24-23-25-35-100)225-159(263)113(51-53-142(249)250)206-156(260)111(38-28-29-56-190)205-166(270)126(72-144(253)254)215-160(264)115(55-61-294-20)207-161(265)117(63-91(5)6)211-171(275)129(80-239)222-172(276)130(81-240)223-175(134)279/h23-27,34-37,43-50,74-76,88-99,109,111-138,146-152,198,238-245H,21-22,28-33,38-42,51-73,77-87,190-191H2,1-20H3,(H2,192,246)(H,195,201)(H,196,202)(H,199,258)(H,200,259)(H,203,247)(H,204,248)(H,205,270)(H,206,260)(H,207,265)(H,208,281)(H,209,282)(H,210,269)(H,211,275)(H,212,267)(H,213,262)(H,214,278)(H,215,264)(H,216,266)(H,217,283)(H,218,284)(H,219,287)(H,220,285)(H,221,257)(H,222,276)(H,223,279)(H,224,261)(H,225,263)(H,226,268)(H,227,277)(H,228,271)(H,229,272)(H,230,280)(H,231,286)(H,232,274)(H,233,288)(H,234,273)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,292,293)(H4,193,194,197)/t97-,98-,99+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,146-,147-,148-,149-,150-,151-,152-/m0/s1

InChIKey

HZZGDPLAJHVHSP-GKHTVLBPSA-N

Smiles

N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCNC(=N)N)CCC3)CO)CC(C)C)Cc3ccc(cc3)O)CCC2)[C@@H](C)C)[C@@H](C)C)Cc2[nH]cnc2)CCC(=O)O)CCC1)[C@@H](O)C)CC(=O)N)[C@@H](C)C)Cc1c[nH]c2c1cccc2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2NC(=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](NC(=O)[C@@H](N)CSSC1)CO)CSSC2)CO)CO)CC(C)C)CCSC)CC(=O)O)CCCCN)CCC(=O)O)[C@@H](C)C)Cc1ccc(cc1)O)Cc1ccccc1)Cc1[nH]cnc1)CC(C)C)CC(=O)O)[C@@H](C)CC)[C@@H](C)CC