Nh2-lys-lys-leu-ile-lys-val-phe-ala-lys-gly-phe-lys-lys-ala-lys-lys-leu-phe-lys-gly-ile-gly-cooh

Structural Information

Molecular Formula

C₁₂₂H₂₀₉N₃₁O₂₃

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C122H209N31O23/c1-13-77(9)102(120(174)135-73-100(156)157)151-99(155)72-134-108(162)86(50-26-35-59-125)142-118(172)97(70-83-46-22-17-23-47-83)149-116(170)93(66-74(3)4)147-113(167)91(55-31-40-64-130)144-110(164)88(52-28-37-61-127)140-105(159)79(11)136-109(163)87(51-27-36-60-126)143-111(165)90(54-30-39-63-129)145-117(171)95(68-81-42-18-15-19-43-81)138-98(154)71-133-107(161)85(49-25-34-58-124)139-104(158)80(12)137-115(169)96(69-82-44-20-16-21-45-82)150-121(175)101(76(7)8)152-114(168)92(56-32-41-65-131)146-122(176)103(78(10)14-2)153-119(173)94(67-75(5)6)148-112(166)89(53-29-38-62-128)141-106(160)84(132)48-24-33-57-123/h15-23,42-47,74-80,84-97,101-103H,13-14,24-41,48-73,123-132H2,1-12H3,(H,133,161)(H,134,162)(H,135,174)(H,136,163)(H,137,169)(H,138,154)(H,139,158)(H,140,159)(H,141,160)(H,142,172)(H,143,165)(H,144,164)(H,145,171)(H,146,176)(H,147,167)(H,148,166)(H,149,170)(H,150,175)(H,151,155)(H,152,168)(H,153,173)(H,156,157)/t77-,78-,79-,80-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,101-,102-,103-/m0/s1

InChIKey

PNELYAAATRFYSJ-KAYYGGFYSA-N

Compound name

2-[[(2S,3S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetic acid

Related CIDs

• CID 16197574
• CID 16197575