Neutrophil antibiotic peptide np-5

Structural Information

Molecular Formula

C₁₄₃H₂₃₁N₅₁O₄₃S₆

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)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)NCC(=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](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)CC4=CC=CC=C4)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC2=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](C(C)C)N)[C@@H](C)O)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CO)CO)C)CCCNC(=N)N)CCC(=O)O)CO)CC(C)C)[C@@H](C)O)CC6=CN=CN6)CCCNC(=N)N)C(C)C)CC(=O)N

InChI

InChI=1S/C143H231N51O43S6/c1-15-69(10)107-134(232)182-88(48-98(144)201)113(211)163-54-103(206)190-106(68(8)9)133(231)176-80(34-25-41-160-142(152)153)119(217)179-87(47-76-49-156-64-167-76)125(223)192-108(71(12)198)135(233)181-84(44-66(4)5)122(220)185-94-60-239-238-58-92-116(214)166-53-101(204)171-89(55-195)114(212)164-50-99(202)169-81(36-37-104(207)208)120(218)174-78(32-23-39-158-140(148)149)117(215)168-70(11)111(209)183-90(56-196)115(213)165-52-102(205)172-91(57-197)126(224)187-97(131(229)194-110(73(14)200)137(235)191-107)63-243-241-61-95(128(226)173-77(31-22-38-157-139(146)147)112(210)162-51-100(203)170-85(45-74-27-18-16-19-28-74)123(221)178-83(43-65(2)3)121(219)184-92)189-136(234)109(72(13)199)193-130(228)96(186-124(222)86(46-75-29-20-17-21-30-75)180-132(230)105(145)67(6)7)62-242-240-59-93(188-129(94)227)127(225)175-79(33-24-40-159-141(150)151)118(216)177-82(138(236)237)35-26-42-161-143(154)155/h16-21,27-30,49,64-73,77-97,105-110,195-200H,15,22-26,31-48,50-63,145H2,1-14H3,(H2,144,201)(H,156,167)(H,162,210)(H,163,211)(H,164,212)(H,165,213)(H,166,214)(H,168,215)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,226)(H,174,218)(H,175,225)(H,176,231)(H,177,216)(H,178,221)(H,179,217)(H,180,230)(H,181,233)(H,182,232)(H,183,209)(H,184,219)(H,185,220)(H,186,222)(H,187,224)(H,188,227)(H,189,234)(H,190,206)(H,191,235)(H,192,223)(H,193,228)(H,194,229)(H,207,208)(H,236,237)(H4,146,147,157)(H4,148,149,158)(H4,150,151,159)(H4,152,153,160)(H4,154,155,161)/t69-,70-,71+,72+,73+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-/m0/s1

InChIKey

IEWGYNKKZATVJT-YQYBAXGXSA-N

Compound name

(2S)-2-[[(2S)-2-[[(1R,4S,10S,13S,16R,22S,28S,31S,34S,37S,43S,46R,49S,52S,55S,61S,64S,67S,70S,73S,76R,79R,84R,87S)-84-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-55-(2-amino-2-oxoethyl)-10-benzyl-52-[(2S)-butan-2-yl]-4,31,64-tris(3-carbamimidamidopropyl)-28-(2-carboxyethyl)-49,70,87-tris[(1R)-1-hydroxyethyl]-22,37,43-tris(hydroxymethyl)-67-(1H-imidazol-5-ylmethyl)-34-methyl-13,73-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,85,88-octacosaoxo-61-propan-2-yl-81,82,91,92,95,96-hexathia-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,86,89-octacosazatricyclo[44.43.4.416,76]heptanonacontane-79-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16130201