Dermaseptin s2

Structural Information

Molecular Formula

C₁₅₅H₂₅₅N₄₃O₄₃S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N

InChI

InChI=1S/C155H255N43O43S2/c1-27-79(12)121(150(235)193-113(72-199)149(234)180-100(46-48-114(160)204)134(219)166-70-119(209)195-123(89(22)201)152(237)183-103(155(240)241)47-49-115(161)205)196-154(239)125(91(24)203)198-148(233)112(65-116(162)206)187-132(217)86(19)172-129(214)83(16)171-128(213)82(15)170-117(207)68-167-135(220)104(57-74(2)3)185-131(216)85(18)173-130(215)84(17)175-137(222)97(43-33-36-52-156)177-118(208)69-165-127(212)81(14)174-142(227)111(64-94-67-163-73-169-94)192-145(230)107(60-77(8)9)186-133(218)87(20)176-138(223)101(50-55-242-25)181-151(236)122(88(21)200)194-120(210)71-168-136(221)105(58-75(4)5)188-140(225)99(45-35-38-54-158)178-139(224)98(44-34-37-53-157)179-143(228)108(61-78(10)11)189-141(226)102(51-56-243-26)182-153(238)124(90(23)202)197-147(232)109(62-92-39-29-28-30-40-92)190-146(231)110(63-93-66-164-96-42-32-31-41-95(93)96)191-144(229)106(59-76(6)7)184-126(211)80(13)159/h28-32,39-42,66-67,73-91,97-113,121-125,164,199-203H,27,33-38,43-65,68-72,156-159H2,1-26H3,(H2,160,204)(H2,161,205)(H2,162,206)(H,163,169)(H,165,212)(H,166,219)(H,167,220)(H,168,221)(H,170,207)(H,171,213)(H,172,214)(H,173,215)(H,174,227)(H,175,222)(H,176,223)(H,177,208)(H,178,224)(H,179,228)(H,180,234)(H,181,236)(H,182,238)(H,183,237)(H,184,211)(H,185,216)(H,186,218)(H,187,217)(H,188,225)(H,189,226)(H,190,231)(H,191,229)(H,192,230)(H,193,235)(H,194,210)(H,195,209)(H,196,239)(H,197,232)(H,198,233)(H,240,241)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,121-,122-,123-,124-,125-/m0/s1

InChIKey

UOUOAXBQDDSIGX-YNTBMGDCSA-N

Compound name

(2S)-5-amino-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130876