Human neutrophil peptide e (rrcycripaciagerrygtciyqgrlwafccrr)

Structural Information

Molecular Formula

C₁₇₁H₂₆₅N₅₉O₄₁S₆

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N3)CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)CC6=CC=C(C=C6)O)CCC(=O)N)CCCNC(=N)N)CC(C)C)CC7=CNC8=CC=CC=C87)C)CC9=CC=CC=C9)C(=O)N1)C)[C@@H](C)CC)CCCNC(=N)N)[C@@H](C)O)CC1=CC=C(C=C1)O)CCCNC(=N)N)CCCNC(=N)N)CCC(=O)O)C

InChI

InChI=1S/C171H265N59O41S6/c1-13-85(6)130-159(266)204-88(9)134(241)199-75-126(236)206-110(56-58-129(239)240)145(252)209-105(37-24-62-193-167(180)181)141(248)208-107(39-26-64-195-169(184)185)143(250)216-113(70-93-43-49-97(232)50-44-93)139(246)201-77-128(238)226-133(91(12)231)161(268)225-123-83-277-272-78-118-152(259)211-108(40-27-65-196-170(186)187)146(253)229-132(87(8)15-3)162(269)230-67-29-42-124(230)158(265)203-90(11)136(243)220-122(156(263)227-130)82-276-275-81-121(155(262)224-119(153(260)210-106(38-25-63-194-168(182)183)142(249)213-111(163(270)271)41-28-66-197-171(188)189)79-273-274-80-120(154(261)217-115(151(258)222-118)71-94-45-51-98(233)52-46-94)221-144(251)104(36-23-61-192-166(178)179)207-137(244)101(172)33-21-59-190-164(174)175)223-150(257)114(69-92-30-17-16-18-31-92)214-135(242)89(10)202-147(254)117(73-96-74-198-102-34-20-19-32-100(96)102)218-148(255)112(68-84(4)5)215-140(247)103(35-22-60-191-165(176)177)205-127(237)76-200-138(245)109(55-57-125(173)235)212-149(256)116(72-95-47-53-99(234)54-48-95)219-160(267)131(86(7)14-2)228-157(123)264/h16-20,30-32,34,43-54,74,84-91,101,103-124,130-133,198,231-234H,13-15,21-29,33,35-42,55-73,75-83,172H2,1-12H3,(H2,173,235)(H,199,241)(H,200,245)(H,201,246)(H,202,254)(H,203,265)(H,204,266)(H,205,237)(H,206,236)(H,207,244)(H,208,248)(H,209,252)(H,210,260)(H,211,259)(H,212,256)(H,213,249)(H,214,242)(H,215,247)(H,216,250)(H,217,261)(H,218,255)(H,219,267)(H,220,243)(H,221,251)(H,222,258)(H,223,257)(H,224,262)(H,225,268)(H,226,238)(H,227,263)(H,228,264)(H,229,253)(H,239,240)(H,270,271)(H4,174,175,190)(H4,176,177,191)(H4,178,179,192)(H4,180,181,193)(H4,182,183,194)(H4,184,185,195)(H4,186,187,196)(H4,188,189,197)/t85-,86-,87-,88-,89-,90-,91+,101-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,130-,131-,132-,133-/m0/s1

InChIKey

JUOKHXFVKYJPLK-DWBUBAOSSA-N

Compound name

(2S)-2-[[(2S)-2-[[(1R,4S,7S,13S,16S,19R,22S,25S,31S,34S,37S,40S,46S,49R,52S,55S,58S,64S,67S,70S,73S,76S,79R,82R,87R,90S)-87-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-58-(3-amino-3-oxopropyl)-76-benzyl-7,22,52-tris[(2S)-butan-2-yl]-4,34,37,64-tetrakis(3-carbamimidamidopropyl)-31-(2-carboxyethyl)-46-[(1R)-1-hydroxyethyl]-40,55,90-tris[(4-hydroxyphenyl)methyl]-70-(1H-indol-3-ylmethyl)-16,25,73-trimethyl-67-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,88,91-octacosaoxo-84,85,94,95,98,99-hexathia-3,6,9,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,89,92-octacosazatetracyclo[47.43.4.419,79.09,13]hectane-82-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16130873