Lasiocepsin-nh2

Structural Information

Molecular Formula

C₁₂₉H₂₃₅N₃₉O₂₇S₄

SMILES

CC[C@H](C)[C@H]1C(=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](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)CN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@@H](NC2=O)CCCCN)CC(C)C)CCCCN)CC(C)C)C(C)C)CCCCN)C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)C

InChI

InChI=1S/C129H235N39O27S4/c1-17-76(13)103-126(193)146-78(15)106(173)149-83(41-22-30-52-133)111(178)152-84(42-23-31-53-134)112(179)150-80(38-19-27-49-130)108(175)143-65-100(170)147-82(40-21-29-51-132)110(177)161-95-69-197-196-67-93(105(139)172)160-115(182)86(44-25-33-55-136)155-122(189)96(163-125(192)102(75(11)12)164-119(186)91(62-73(7)8)157-114(181)85(43-24-32-54-135)154-117(184)89(60-71(3)4)158-123(190)97-47-36-58-167(97)101(171)66-144-109(176)81(151-121(95)188)39-20-28-50-131)70-199-198-68-94(120(187)145-79(16)107(174)165-103)162-118(185)90(61-72(5)6)159-127(194)104(77(14)18-2)166-116(183)87(45-26-34-56-137)153-113(180)88(46-35-57-142-129(140)141)156-124(191)98-48-37-59-168(98)128(195)92(63-74(9)10)148-99(169)64-138/h71-98,102-104H,17-70,130-138H2,1-16H3,(H2,139,172)(H,143,175)(H,144,176)(H,145,187)(H,146,193)(H,147,170)(H,148,169)(H,149,173)(H,150,179)(H,151,188)(H,152,178)(H,153,180)(H,154,184)(H,155,189)(H,156,191)(H,157,181)(H,158,190)(H,159,194)(H,160,182)(H,161,177)(H,162,185)(H,163,192)(H,164,186)(H,165,174)(H,166,183)(H4,140,141,142)/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-,104-/m0/s1

InChIKey

BCQRGJNLWMEIEU-QKSXZUPSSA-N

Compound name

(1R,6R,9S,12S,15S,18S,21S,24S,30S,33R,36S,45S,48S,51S,54S,57S,62S,65R)-6-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-18,21,24,30,36,51,62-heptakis(4-aminobutyl)-12-[(2S)-butan-2-yl]-9,15-dimethyl-48,54-bis(2-methylpropyl)-7,10,13,16,19,22,25,28,31,34,37,40,46,49,52,55,58,60,63-nonadecaoxo-57-propan-2-yl-3,4,67,68-tetrathia-8,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56,59,61,64-nonadecazatricyclo[31.26.10.041,45]nonahexacontane-65-carboxamide

Related CIDs

• CID 71597736