(8-hexanoic acid)-rqllsgivqqqnnllraieaqqhllqk

Structural Information

Molecular Formula

C₁₄₄H₂₄₉N₄₅O₄₂

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)NCCCCCCCC(=O)O

InChI

InChI=1S/C144H249N45O42/c1-21-76(17)115(187-111(200)66-163-119(207)101(67-190)186-135(223)97(61-74(13)14)180-132(220)94(58-71(7)8)177-127(215)86(39-47-105(149)194)169-120(208)81(33-30-54-161-143(155)156)160-53-29-25-23-24-26-35-112(201)202)141(229)188-114(75(15)16)139(227)174-89(42-50-108(152)197)125(213)170-84(37-45-103(147)192)124(212)172-88(41-49-107(151)196)129(217)184-99(63-109(153)198)138(226)185-100(64-110(154)199)137(225)182-96(60-73(11)12)134(222)178-92(56-69(3)4)130(218)168-82(34-31-55-162-144(157)158)121(209)166-79(20)118(206)189-116(77(18)22-2)140(228)175-90(43-51-113(203)204)122(210)165-78(19)117(205)167-83(36-44-102(146)191)123(211)171-87(40-48-106(150)195)128(216)183-98(62-80-65-159-68-164-80)136(224)181-95(59-72(9)10)133(221)179-93(57-70(5)6)131(219)173-85(38-46-104(148)193)126(214)176-91(142(230)231)32-27-28-52-145/h65,68-79,81-101,114-116,160,190H,21-64,66-67,145H2,1-20H3,(H2,146,191)(H2,147,192)(H2,148,193)(H2,149,194)(H2,150,195)(H2,151,196)(H2,152,197)(H2,153,198)(H2,154,199)(H,159,164)(H,163,207)(H,165,210)(H,166,209)(H,167,205)(H,168,218)(H,169,208)(H,170,213)(H,171,211)(H,172,212)(H,173,219)(H,174,227)(H,175,228)(H,176,214)(H,177,215)(H,178,222)(H,179,221)(H,180,220)(H,181,224)(H,182,225)(H,183,216)(H,184,217)(H,185,226)(H,186,223)(H,187,200)(H,188,229)(H,189,206)(H,201,202)(H,203,204)(H,230,231)(H4,155,156,161)(H4,157,158,162)/t76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,114-,115-,116-/m0/s1

InChIKey

XITUCJISALDGKB-PTXPGYJHSA-N

Compound name

8-[[(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]octanoic acid

Related CIDs

• CID 86575197