Human neutrophil peptide b (vvcycripaciagerrygtciyqgrlwafccrr)

Structural Information

Molecular Formula

C₁₆₉H₂₅₉N₅₃O₄₁S₆

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](C(C)C)NC(=O)[C@H](C(C)C)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/C169H259N53O41S6/c1-17-85(10)130-159(258)196-88(13)134(233)191-73-124(228)198-108(56-58-127(231)232)143(242)200-103(37-26-60-185-165(174)175)140(239)199-105(39-28-62-187-167(178)179)142(241)207-111(68-93-43-49-97(224)50-44-93)138(237)193-75-126(230)217-133(91(16)223)161(260)216-121-81-269-264-76-116-150(249)202-106(40-29-63-188-168(180)181)144(243)221-132(87(12)19-3)162(261)222-65-31-42-122(222)156(255)195-90(15)136(235)211-120(154(253)219-130)80-268-266-78-118(153(252)214-117(151(250)201-104(38-27-61-186-166(176)177)141(240)204-109(163(262)263)41-30-64-189-169(182)183)77-265-267-79-119(215-158(257)129(84(8)9)218-157(256)128(171)83(6)7)152(251)208-113(149(248)212-116)69-94-45-51-98(225)52-46-94)213-148(247)112(67-92-32-21-20-22-33-92)205-135(234)89(14)194-145(244)115(71-96-72-190-101-35-24-23-34-100(96)101)209-146(245)110(66-82(4)5)206-139(238)102(36-25-59-184-164(172)173)197-125(229)74-192-137(236)107(55-57-123(170)227)203-147(246)114(70-95-47-53-99(226)54-48-95)210-160(259)131(86(11)18-2)220-155(121)254/h20-24,32-35,43-54,72,82-91,102-122,128-133,190,223-226H,17-19,25-31,36-42,55-71,73-81,171H2,1-16H3,(H2,170,227)(H,191,233)(H,192,236)(H,193,237)(H,194,244)(H,195,255)(H,196,258)(H,197,229)(H,198,228)(H,199,239)(H,200,242)(H,201,250)(H,202,249)(H,203,246)(H,204,240)(H,205,234)(H,206,238)(H,207,241)(H,208,251)(H,209,245)(H,210,259)(H,211,235)(H,212,248)(H,213,247)(H,214,252)(H,215,257)(H,216,260)(H,217,230)(H,218,256)(H,219,253)(H,220,254)(H,221,243)(H,231,232)(H,262,263)(H4,172,173,184)(H4,174,175,185)(H4,176,177,186)(H4,178,179,187)(H4,180,181,188)(H4,182,183,189)/t85-,86-,87-,88-,89-,90-,91+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,128-,129-,130-,131-,132-,133-/m0/s1

InChIKey

UGQRQMXQKFHSEL-VKGFYWNXSA-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-3-methylbutanoyl]amino]-3-methylbutanoyl]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 16130870