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Substance Name: Histatin 3
RN: 112844-49-2
UNII: 1HNW9806AY
InChIKey: MGLKKQHURMLFDS-ZMASWNFJSA-N

Molecular Formula

  • C178-H258-N64-O48

Molecular Weight

  • 4062.3962
 
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Names and Synonyms

Name of Substance

  • Histatin 3

Synonyms

  • Asp-ser-his-ala-lys-arg-his-his-gly-tyr-lys-arg-lys-phe-his-glu-lys-his-his-ser-his-arg-gly-tyr-arg-ser-asn-tyr-leu-tyr-asp-asn
  • Histatin 3
  • Histatin 3 (human parotid saliva)
  • Histatin 3 [MI]
  • Histatin 5 (human parotid saliva), 24a-L-arginine-24b-L-serine-24c-L-asparagine-24D-L-tyrosine-
  • Human histatin 3
  • UNII-1HNW9806AY

Registry Numbers

CAS Registry Number

  • 112844-49-2

FDA UNII

  • 1HNW9806AY

System Generated Number

  • 0112844492

Structure Descriptors

InChI

1S/C178H258N64O48/c1-91(2)55-119(158(273)228-124(60-97-35-43-108(249)44-36-97)163(278)238-133(71-144(258)259)170(285)239-134(174(289)290)70-139(185)251)226-161(276)123(59-96-33-41-107(248)42-34-96)229-169(284)132(69-138(184)250)237-173(288)136(82-244)241-155(270)117(28-18-54-204-178(192)193)224-160(275)121(58-95-31-39-106(247)40-32-95)215-140(252)79-205-147(262)110(25-15-51-201-175(186)187)218-164(279)128(64-101-75-197-87-210-101)236-172(287)137(83-245)242-168(283)131(67-104-78-200-90-213-104)234-167(282)130(66-103-77-199-89-212-103)231-153(268)114(24-10-14-50-182)220-156(271)118(45-46-142(254)255)225-165(280)127(63-100-74-196-86-209-100)233-162(277)122(56-93-19-5-4-6-20-93)227-152(267)113(23-9-13-49-181)219-151(266)115(26-16-52-202-176(188)189)221-150(265)112(22-8-12-48-180)223-159(274)120(57-94-29-37-105(246)38-30-94)216-141(253)80-206-148(263)125(61-98-72-194-84-207-98)230-166(281)129(65-102-76-198-88-211-102)232-154(269)116(27-17-53-203-177(190)191)222-149(264)111(21-7-11-47-179)217-145(260)92(3)214-157(272)126(62-99-73-195-85-208-99)235-171(286)135(81-243)240-146(261)109(183)68-143(256)257/h4-6,19-20,29-44,72-78,84-92,109-137,243-249H,7-18,21-28,45-71,79-83,179-183H2,1-3H3,(H2,184,250)(H2,185,251)(H,194,207)(H,195,208)(H,196,209)(H,197,210)(H,198,211)(H,199,212)(H,200,213)(H,205,262)(H,206,263)(H,214,272)(H,215,252)(H,216,253)(H,217,260)(H,218,279)(H,219,266)(H,220,271)(H,221,265)(H,222,264)(H,223,274)(H,224,275)(H,225,280)(H,226,276)(H,227,267)(H,228,273)(H,229,284)(H,230,281)(H,231,268)(H,232,269)(H,233,277)(H,234,282)(H,235,286)(H,236,287)(H,237,288)(H,238,278)(H,239,285)(H,240,261)(H,241,270)(H,242,283)(H,254,255)(H,256,257)(H,258,259)(H,289,290)(H4,186,187,201)(H4,188,189,202)(H4,190,191,203)(H4,192,193,204)/t92-,109-,110-,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-/m0/s1

InChIKey

MGLKKQHURMLFDS-ZMASWNFJSA-N

Smiles

C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NCC(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](Cc5c[nH]cn5)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc6c[nH]cn6)C(=O)N[C@@H](Cc7c[nH]cn7)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc8c[nH]cn8)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc9ccc(cc9)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N