Rqllsgidqeqnnltrlieaqihelq-(hexadecane)

Structural Information

Molecular Formula

C₁₄₆H₂₅₁N₄₁O₄₃

SMILES

CCCCCCCCCCCCCCCCC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)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](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C146H251N41O43/c1-20-24-25-26-27-28-29-30-31-32-33-34-35-36-41-104(190)85(42-50-105(148)191)165-132(218)94(60-73(5)6)174-130(216)93(49-57-115(203)204)171-135(221)99(65-83-69-159-72-163-83)181-143(229)119(80(17)23-4)185-131(217)90(46-54-109(152)195)166-121(207)81(18)164-124(210)91(47-55-113(199)200)173-142(228)118(79(16)22-3)186-139(225)97(63-76(11)12)176-125(211)86(40-38-59-161-146(157)158)172-144(230)120(82(19)189)187-140(226)98(64-77(13)14)178-136(222)101(67-111(154)197)180-137(223)100(66-110(153)196)179-129(215)89(45-53-108(151)194)168-127(213)92(48-56-114(201)202)169-126(212)88(44-52-107(150)193)170-138(224)102(68-116(205)206)182-141(227)117(78(15)21-2)184-112(198)70-162-123(209)103(71-188)183-134(220)96(62-75(9)10)177-133(219)95(61-74(7)8)175-128(214)87(43-51-106(149)192)167-122(208)84(147)39-37-58-160-145(155)156/h69,72-82,84-103,117-120,188-189H,20-68,70-71,147H2,1-19H3,(H2,148,191)(H2,149,192)(H2,150,193)(H2,151,194)(H2,152,195)(H2,153,196)(H2,154,197)(H,159,163)(H,162,209)(H,164,210)(H,165,218)(H,166,207)(H,167,208)(H,168,213)(H,169,212)(H,170,224)(H,171,221)(H,172,230)(H,173,228)(H,174,216)(H,175,214)(H,176,211)(H,177,219)(H,178,222)(H,179,215)(H,180,223)(H,181,229)(H,182,227)(H,183,220)(H,184,198)(H,185,217)(H,186,225)(H,187,226)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H4,155,156,160)(H4,157,158,161)/t78-,79-,80-,81-,82+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,117-,118-,119-,120-/m0/s1

InChIKey

AEJHDIHSTMIJEY-ZKNSXBOQSA-N

Compound name

(4S)-5-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4S)-1-amino-1,5-dioxohenicosan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71591920