Ac-cggnnllraieaqqhllqltvwgikq-conh2

Structural Information

Molecular Formula

C₁₃₀H₂₁₄N₄₀O₃₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C130H214N40O36S/c1-21-66(15)104(127(204)157-77(30-25-26-42-131)114(191)152-76(107(138)184)32-37-93(132)173)167-101(181)57-146-110(187)88(49-72-53-143-75-29-24-23-28-74(72)75)166-126(203)103(65(13)14)168-129(206)106(70(19)171)170-125(202)87(48-64(11)12)159-116(193)81(35-40-96(135)176)156-119(196)84(45-61(5)6)161-120(197)85(46-62(7)8)162-122(199)89(50-73-54-141-59-147-73)164-117(194)80(34-39-95(134)175)155-115(192)79(33-38-94(133)174)153-108(185)68(17)148-113(190)82(36-41-102(182)183)158-128(205)105(67(16)22-2)169-109(186)69(18)149-112(189)78(31-27-43-142-130(139)140)154-118(195)83(44-60(3)4)160-121(198)86(47-63(9)10)163-124(201)91(52-98(137)178)165-123(200)90(51-97(136)177)151-100(180)56-144-99(179)55-145-111(188)92(58-207)150-71(20)172/h23-24,28-29,53-54,59-70,76-92,103-106,143,171,207H,21-22,25-27,30-52,55-58,131H2,1-20H3,(H2,132,173)(H2,133,174)(H2,134,175)(H2,135,176)(H2,136,177)(H2,137,178)(H2,138,184)(H,141,147)(H,144,179)(H,145,188)(H,146,187)(H,148,190)(H,149,189)(H,150,172)(H,151,180)(H,152,191)(H,153,185)(H,154,195)(H,155,192)(H,156,196)(H,157,204)(H,158,205)(H,159,193)(H,160,198)(H,161,197)(H,162,199)(H,163,201)(H,164,194)(H,165,200)(H,166,203)(H,167,181)(H,168,206)(H,169,186)(H,170,202)(H,182,183)(H4,139,140,142)/t66-,67-,68-,69-,70+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,103-,104-,105-,106-/m0/s1

InChIKey

PRFCTFQMIPMEKS-XRXWTGJWSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197387