Human neutrophil peptide c (ttcycripaciagerrygtciyqgrlwafcctt)

Structural Information

Molecular Formula

C₁₆₃H₂₄₅N₄₇O₄₅S₆

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@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)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/C163H245N47O45S6/c1-17-77(6)123-153(248)184-80(9)130(225)179-67-118(220)186-103(52-54-121(223)224)138(233)188-99(35-26-56-175-161(168)169)136(231)187-100(36-27-57-176-162(170)171)137(232)193-105(62-89-39-45-93(216)46-40-89)134(229)181-69-120(222)203-126(84(13)212)155(250)202-115-75-261-256-70-110-145(240)189-101(37-28-58-177-163(172)173)139(234)206-125(79(8)19-3)158(253)210-59-29-38-116(210)151(246)183-82(11)132(227)197-113(148(243)204-123)73-259-257-71-111(147(242)200-114(150(245)207-128(86(15)214)157(252)209-129(87(16)215)159(254)255)74-260-258-72-112(201-156(251)127(85(14)213)208-152(247)122(165)83(12)211)146(241)194-107(144(239)198-110)63-90-41-47-94(217)48-42-90)199-143(238)106(61-88-30-21-20-22-31-88)191-131(226)81(10)182-140(235)109(65-92-66-178-97-33-24-23-32-96(92)97)195-141(236)104(60-76(4)5)192-135(230)98(34-25-55-174-160(166)167)185-119(221)68-180-133(228)102(51-53-117(164)219)190-142(237)108(64-91-43-49-95(218)50-44-91)196-154(249)124(78(7)18-2)205-149(115)244/h20-24,30-33,39-50,66,76-87,98-116,122-129,178,211-218H,17-19,25-29,34-38,51-65,67-75,165H2,1-16H3,(H2,164,219)(H,179,225)(H,180,228)(H,181,229)(H,182,235)(H,183,246)(H,184,248)(H,185,221)(H,186,220)(H,187,231)(H,188,233)(H,189,240)(H,190,237)(H,191,226)(H,192,230)(H,193,232)(H,194,241)(H,195,236)(H,196,249)(H,197,227)(H,198,239)(H,199,238)(H,200,242)(H,201,251)(H,202,250)(H,203,222)(H,204,243)(H,205,244)(H,206,234)(H,207,245)(H,208,247)(H,209,252)(H,223,224)(H,254,255)(H4,166,167,174)(H4,168,169,175)(H4,170,171,176)(H4,172,173,177)/t77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,87+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,122-,123-,124-,125-,126-,127-,128-,129-/m0/s1

InChIKey

APXZMQUSJPSIHI-OLYMETTISA-N

Compound name

(2S,3R)-2-[[(2S,3R)-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,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]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]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 16130871