Luffin p1

Structural Information

Molecular Formula

C₁₁₃H₂₀₂N₅₀O₃₆S₂

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C113H202N50O36S2/c1-53(2)49-72(101(194)152-61(20-11-45-139-110(127)128)92(185)156-69(29-37-81(172)173)98(191)151-60(19-10-44-138-109(125)126)91(184)153-65(28-36-80(170)171)86(179)143-50-78(167)144-56(16-7-41-135-106(119)120)87(180)147-62(21-12-46-140-111(129)130)93(186)159-71(105(198)199)31-39-83(176)177)160-94(187)63(22-13-47-141-112(131)132)148-88(181)57(15-5-6-40-114)146-99(192)70(30-38-82(174)175)158-103(196)74(52-201)162-104(197)84(54(3)4)163-100(193)68(27-34-77(118)166)155-97(190)67(26-33-76(117)165)157-102(195)73(51-200)161-95(188)64(23-14-48-142-113(133)134)149-90(183)59(18-9-43-137-108(123)124)150-96(189)66(25-32-75(116)164)154-89(182)58(17-8-42-136-107(121)122)145-85(178)55(115)24-35-79(168)169/h53-74,84,200-201H,5-52,114-115H2,1-4H3,(H2,116,164)(H2,117,165)(H2,118,166)(H,143,179)(H,144,167)(H,145,178)(H,146,192)(H,147,180)(H,148,181)(H,149,183)(H,150,189)(H,151,191)(H,152,194)(H,153,184)(H,154,182)(H,155,190)(H,156,185)(H,157,195)(H,158,196)(H,159,186)(H,160,187)(H,161,188)(H,162,197)(H,163,193)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,198,199)(H4,119,120,135)(H4,121,122,136)(H4,123,124,137)(H4,125,126,138)(H4,127,128,139)(H4,129,130,140)(H4,131,132,141)(H4,133,134,142)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,84-/m0/s1

InChIKey

PCFNGEDXTWRBNK-SDJDAQSLSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]pentanedioic acid

Related CIDs

• CID 71589630