Dermaseptin b

Structural Information

Molecular Formula

C₁₁₇H₂₀₃N₃₃O₃₆

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C117H203N33O36/c1-25-59(15)90(148-104(172)73(35-29-32-40-120)135-103(171)72(34-28-31-39-119)136-106(174)77(43-55(7)8)142-113(181)89(58(13)14)146-100(168)70(121)45-85(158)159)110(178)126-50-84(157)144-92(67(23)152)115(183)147-88(57(11)12)112(180)133-65(21)97(165)139-76(42-54(5)6)107(175)141-78(44-69-47-123-52-127-69)105(173)130-61(17)94(162)124-49-83(156)134-71(33-27-30-38-118)102(170)131-63(19)95(163)129-64(20)96(164)138-75(41-53(3)4)101(169)125-48-82(155)128-62(18)99(167)145-87(56(9)10)111(179)132-66(22)98(166)140-79(46-86(160)161)108(176)150-93(68(24)153)116(184)149-91(60(16)26-2)114(182)143-80(51-151)109(177)137-74(117(185)186)36-37-81(122)154/h47,52-68,70-80,87-93,151-153H,25-46,48-51,118-121H2,1-24H3,(H2,122,154)(H,123,127)(H,124,162)(H,125,169)(H,126,178)(H,128,155)(H,129,163)(H,130,173)(H,131,170)(H,132,179)(H,133,180)(H,134,156)(H,135,171)(H,136,174)(H,137,177)(H,138,164)(H,139,165)(H,140,166)(H,141,175)(H,142,181)(H,143,182)(H,144,157)(H,145,167)(H,146,168)(H,147,183)(H,148,172)(H,149,184)(H,150,176)(H,158,159)(H,160,161)(H,185,186)/t59-,60-,61-,62-,63-,64-,65-,66-,67+,68+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,87-,88-,89-,90-,91-,92-,93-/m0/s1

InChIKey

CJFGOJQZGUZKQW-JTSODRDSSA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-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,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]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]-3-methylbutanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130874