(16-hexadecanoic acid)-rqllsgivqqqnnllraieaqqhllqk

Structural Information

Molecular Formula

C₁₅₂H₂₆₅N₄₅O₄₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)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)NCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C152H265N45O42/c1-21-84(17)123(195-119(208)74-171-127(215)109(75-198)194-143(231)105(69-82(13)14)188-140(228)102(66-79(7)8)185-135(223)94(47-55-113(157)202)177-128(216)89(41-38-62-169-151(163)164)168-61-37-33-31-29-27-25-23-24-26-28-30-32-34-43-120(209)210)149(237)196-122(83(15)16)147(235)182-97(50-58-116(160)205)133(221)178-92(45-53-111(155)200)132(220)180-96(49-57-115(159)204)137(225)192-107(71-117(161)206)146(234)193-108(72-118(162)207)145(233)190-104(68-81(11)12)142(230)186-100(64-77(3)4)138(226)176-90(42-39-63-170-152(165)166)129(217)174-87(20)126(214)197-124(85(18)22-2)148(236)183-98(51-59-121(211)212)130(218)173-86(19)125(213)175-91(44-52-110(154)199)131(219)179-95(48-56-114(158)203)136(224)191-106(70-88-73-167-76-172-88)144(232)189-103(67-80(9)10)141(229)187-101(65-78(5)6)139(227)181-93(46-54-112(156)201)134(222)184-99(150(238)239)40-35-36-60-153/h73,76-87,89-109,122-124,168,198H,21-72,74-75,153H2,1-20H3,(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,204)(H2,160,205)(H2,161,206)(H2,162,207)(H,167,172)(H,171,215)(H,173,218)(H,174,217)(H,175,213)(H,176,226)(H,177,216)(H,178,221)(H,179,219)(H,180,220)(H,181,227)(H,182,235)(H,183,236)(H,184,222)(H,185,223)(H,186,230)(H,187,229)(H,188,228)(H,189,232)(H,190,233)(H,191,224)(H,192,225)(H,193,234)(H,194,231)(H,195,208)(H,196,237)(H,197,214)(H,209,210)(H,211,212)(H,238,239)(H4,163,164,169)(H4,165,166,170)/t84-,85-,86-,87-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,122-,123-,124-/m0/s1

InChIKey

DGBPRZKWEHHGHO-SVTCKANBSA-N

Compound name

16-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(1S)-5-amino-1-carboxypentyl]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]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-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]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]hexadecanoic acid

Related CIDs

• CID 86575199