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Substance Name: PR 39
RN: 139637-11-9
InChIKey: JTJJGVCUEGCBHL-IWDHFESKSA-N

Note

  • Antibacterial peptide from pig intestine; has high activity against E coli & Bacillus megaterium.

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents

Molecular Formula

  • C229-H346-N70-O40

Molecular Weight

  • 4720.6865
 
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Names and Synonyms

Name of Substance

  • PR 39

Synonym

  • PR-39

Systematic Name

  • L-Prolinamide, L-arginyl-L-arginyl-L-prolyl-L-arginyl-L-prolyl-L-prolyl-L-tyrosyl-L-leucyl-L-prolyl-L-arginyl-L-prolyl-L-arginyl-L-prolyl-L-prolyl-L-prolyl-L-phenylalanyl-L-phenylalanyl-L-prolyl-L-prolyl-L-arginyl-L-leucyl-L-prolyl-L-prolyl-L-arginyl-L-isoleucyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-prolyl-L-prolyl-L-arginyl-L-phenylalanyl-L-prolyl-L-prolyl-L-arginyl-L-phenylalanyl-

Registry Numbers

CAS Registry Number

  • 139637-11-9

System Generated Number

  • 0139637119

Structure Descriptors

InChI

1S/C229H345N69O41/c1-7-135(6)181(218(337)297-122-50-89-178(297)216(335)283-108-33-72-161(283)190(309)261-132-180(300)262-157(128-137-54-15-9-16-55-137)206(325)293-118-46-84-173(293)212(331)284-109-37-77-166(284)192(311)265-146(65-26-98-254-223(237)238)185(304)276-158(129-138-56-17-10-18-57-138)207(326)294-119-47-85-174(294)213(332)286-111-39-78-167(286)193(312)266-147(66-27-99-255-224(239)240)186(305)277-160(131-140-60-21-12-22-61-140)209(328)298-123-51-90-179(298)219(338)339)279-187(306)148(67-28-100-256-225(241)242)267-194(313)168-79-40-112-287(168)211(330)172-83-45-117-292(172)205(324)156(125-134(4)5)274-184(303)145(64-25-97-253-222(235)236)264-191(310)165-76-38-110-285(165)214(333)175-86-48-120-295(175)208(327)159(130-139-58-19-11-20-59-139)278-189(308)153(126-136-52-13-8-14-53-136)272-198(317)170-81-42-114-289(170)215(334)177-88-49-121-296(177)217(336)176-87-44-116-291(176)203(322)152(71-32-104-260-229(249)250)271-196(315)163-74-35-106-281(163)201(320)150(69-30-102-258-227(245)246)269-197(316)164-75-36-107-282(164)204(323)155(124-133(2)3)275-188(307)154(127-141-91-93-142(299)94-92-141)273-199(318)169-80-41-113-288(169)210(329)171-82-43-115-290(171)202(321)151(70-31-103-259-228(247)248)270-195(314)162-73-34-105-280(162)200(319)149(68-29-101-257-226(243)244)268-183(302)144(63-24-96-252-221(233)234)263-182(301)143(230)62-23-95-251-220(231)232/h8-22,52-61,91-94,133-135,143-179,181,299H,7,23-51,62-90,95-132,230H2,1-6H3,(H,261,309)(H,262,300)(H,263,301)(H,264,310)(H,265,311)(H,266,312)(H,267,313)(H,268,302)(H,269,316)(H,270,314)(H,271,315)(H,272,317)(H,273,318)(H,274,303)(H,275,307)(H,276,304)(H,277,305)(H,278,308)(H,279,306)(H,338,339)(H4,231,232,251)(H4,233,234,252)(H4,235,236,253)(H4,237,238,254)(H4,239,240,255)(H4,241,242,256)(H4,243,244,257)(H4,245,246,258)(H4,247,248,259)(H4,249,250,260)/t135-,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-,175-,176-,177-,178-,179-,181-/m0/s1

InChIKey

JTJJGVCUEGCBHL-IWDHFESKSA-N

Smiles

N([C@H](C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N4[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N6[C@H](C(=O)N7[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N8[C@H](C(=O)N9[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N%10[C@H](C(=O)N%11[C@H](C(=O)NCC(=O)N[C@H](C(=O)N%12[C@H](C(=O)N%13[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N%14[C@H](C(=O)N%15[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N%16[C@H](C(=O)O)CCC%16)Cc%16ccccc%16)CCCNC(=N)N)CCC%15)CCC%14)Cc%14ccccc%14)CCCNC(=N)N)CCC%13)CCC%12)Cc%12ccccc%12)CCC%11)CCC%10)[C@@H](C)CC)CCCNC(=N)N)CCC9)CCC8)CC(C)C)CCCNC(=N)N)CCC7)CCC6)Cc6ccccc6)Cc6ccccc6)CCC5)CCC4)CCC3)CCCNC(=N)N)CCC2)CCCNC(=N)N)CCC1)CC(C)C)Cc1ccc(cc1)O)C(=O)[C@H]1N(CCC1)C(=O)[C@H]1N(C(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCC2)CCCNC(=N)N)CCC1