(12-dodecanoic acid)-rqllsgivqqqnnllraieaqqhllqk

Structural Information

Molecular Formula

C₁₄₈H₂₅₇N₄₅O₄₂

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)NCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C148H257N45O42/c1-21-80(17)119(191-115(204)70-167-123(211)105(71-194)190-139(227)101(65-78(13)14)184-136(224)98(62-75(7)8)181-131(219)90(43-51-109(153)198)173-124(212)85(37-34-58-165-147(159)160)164-57-33-29-27-25-23-24-26-28-30-39-116(205)206)145(233)192-118(79(15)16)143(231)178-93(46-54-112(156)201)129(217)174-88(41-49-107(151)196)128(216)176-92(45-53-111(155)200)133(221)188-103(67-113(157)202)142(230)189-104(68-114(158)203)141(229)186-100(64-77(11)12)138(226)182-96(60-73(3)4)134(222)172-86(38-35-59-166-148(161)162)125(213)170-83(20)122(210)193-120(81(18)22-2)144(232)179-94(47-55-117(207)208)126(214)169-82(19)121(209)171-87(40-48-106(150)195)127(215)175-91(44-52-110(154)199)132(220)187-102(66-84-69-163-72-168-84)140(228)185-99(63-76(9)10)137(225)183-97(61-74(5)6)135(223)177-89(42-50-108(152)197)130(218)180-95(146(234)235)36-31-32-56-149/h69,72-83,85-105,118-120,164,194H,21-68,70-71,149H2,1-20H3,(H2,150,195)(H2,151,196)(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,163,168)(H,167,211)(H,169,214)(H,170,213)(H,171,209)(H,172,222)(H,173,212)(H,174,217)(H,175,215)(H,176,216)(H,177,223)(H,178,231)(H,179,232)(H,180,218)(H,181,219)(H,182,226)(H,183,225)(H,184,224)(H,185,228)(H,186,229)(H,187,220)(H,188,221)(H,189,230)(H,190,227)(H,191,204)(H,192,233)(H,193,210)(H,205,206)(H,207,208)(H,234,235)(H4,159,160,165)(H4,161,162,166)/t80-,81-,82-,83-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,118-,119-,120-/m0/s1

InChIKey

HWEYRXIMSKARBG-INXZHUQNSA-N

Compound name

12-[[(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]dodecanoic acid

Related CIDs

• CID 86575198