Human neutrophil peptide a (ddcycripaciagerrygtciyqgrlwafccdd)

Structural Information

Molecular Formula

C₁₆₃H₂₃₇N₄₇O₄₉S₆

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](CC(=O)O)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)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/C163H237N47O49S6/c1-13-77(6)126-155(254)184-80(9)130(229)179-67-118(216)186-100(48-50-121(219)220)139(238)188-96(31-22-52-175-161(168)169)137(236)187-97(32-23-53-176-162(170)171)138(237)194-102(58-85-35-41-89(212)42-36-85)135(234)181-69-120(218)206-129(83(12)211)157(256)205-115-75-265-260-70-110-148(247)189-98(33-24-54-177-163(172)173)140(239)209-128(79(8)15-3)158(257)210-55-25-34-116(210)154(253)183-82(11)132(231)200-114(152(251)207-126)74-264-263-73-113(151(250)204-112(150(249)197-108(64-124(225)226)146(245)199-109(159(258)259)65-125(227)228)72-262-261-71-111(149(248)195-104(145(244)201-110)59-86-37-43-90(213)44-38-86)203-147(246)107(63-123(223)224)192-133(232)93(164)62-122(221)222)202-144(243)103(57-84-26-17-16-18-27-84)191-131(230)81(10)182-141(240)106(61-88-66-178-94-29-20-19-28-92(88)94)196-142(241)101(56-76(4)5)193-136(235)95(30-21-51-174-160(166)167)185-119(217)68-180-134(233)99(47-49-117(165)215)190-143(242)105(60-87-39-45-91(214)46-40-87)198-156(255)127(78(7)14-2)208-153(115)252/h16-20,26-29,35-46,66,76-83,93,95-116,126-129,178,211-214H,13-15,21-25,30-34,47-65,67-75,164H2,1-12H3,(H2,165,215)(H,179,229)(H,180,233)(H,181,234)(H,182,240)(H,183,253)(H,184,254)(H,185,217)(H,186,216)(H,187,236)(H,188,238)(H,189,247)(H,190,242)(H,191,230)(H,192,232)(H,193,235)(H,194,237)(H,195,248)(H,196,241)(H,197,249)(H,198,255)(H,199,245)(H,200,231)(H,201,244)(H,202,243)(H,203,246)(H,204,250)(H,205,256)(H,206,218)(H,207,251)(H,208,252)(H,209,239)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,258,259)(H4,166,167,174)(H4,168,169,175)(H4,170,171,176)(H4,172,173,177)/t77-,78-,79-,80-,81-,82-,83+,93-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,126-,127-,128-,129-/m0/s1

InChIKey

FUUWPTGEPGXISB-IQVGPRRQSA-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-carboxypropanoyl]amino]-3-carboxypropanoyl]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-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130869