Sgivqqqnnllraieaqqhllqltvwgikqlqarilk-(hexadecane)

Structural Information

Molecular Formula

C₂₀₆H₃₅₄N₅₈O₅₁

SMILES

CCCCCCCCCCCCCCCCNCCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)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)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC(=O)[C@H](CO)N

InChI

InChI=1S/C206H354N58O51/c1-32-37-38-39-40-41-42-43-44-45-46-47-48-54-83-223-84-55-52-58-123(102-265)234-188(299)140(87-105(6)7)256-202(313)169(117(27)36-5)263-187(298)130(63-57-86-226-206(221)222)235-171(282)118(28)231-177(288)131(64-73-151(209)268)242-190(301)141(88-106(8)9)247-183(294)134(67-76-154(212)271)238-179(290)128(61-51-53-82-207)244-200(311)166(114(24)33-2)258-162(279)101-229-175(286)147(94-122-98-227-127-60-50-49-59-125(122)127)257-199(310)165(113(22)23)261-204(315)170(121(31)267)264-197(308)146(93-111(18)19)248-184(295)137(70-79-157(215)274)243-191(302)143(90-108(12)13)250-192(303)144(91-109(14)15)251-194(305)148(95-124-99-224-104-230-124)253-185(296)135(68-77-155(213)272)240-180(291)132(65-74-152(210)269)236-172(283)119(29)232-178(289)139(72-81-163(280)281)246-201(312)168(116(26)35-4)262-173(284)120(30)233-176(287)129(62-56-85-225-205(219)220)237-189(300)142(89-107(10)11)249-193(304)145(92-110(16)17)252-195(306)150(97-160(218)277)255-196(307)149(96-159(217)276)254-186(297)136(69-78-156(214)273)241-181(292)133(66-75-153(211)270)239-182(293)138(71-80-158(216)275)245-198(309)164(112(20)21)260-203(314)167(115(25)34-3)259-161(278)100-228-174(285)126(208)103-266/h49-50,59-60,98-99,102,104-121,123,126,128-150,164-170,223,227,266-267H,32-48,51-58,61-97,100-101,103,207-208H2,1-31H3,(H2,209,268)(H2,210,269)(H2,211,270)(H2,212,271)(H2,213,272)(H2,214,273)(H2,215,274)(H2,216,275)(H2,217,276)(H2,218,277)(H,224,230)(H,228,285)(H,229,286)(H,231,288)(H,232,289)(H,233,287)(H,234,299)(H,235,282)(H,236,283)(H,237,300)(H,238,290)(H,239,293)(H,240,291)(H,241,292)(H,242,301)(H,243,302)(H,244,311)(H,245,309)(H,246,312)(H,247,294)(H,248,295)(H,249,304)(H,250,303)(H,251,305)(H,252,306)(H,253,296)(H,254,297)(H,255,307)(H,256,313)(H,257,310)(H,258,279)(H,259,278)(H,260,314)(H,261,315)(H,262,284)(H,263,298)(H,264,308)(H,280,281)(H4,219,220,225)(H4,221,222,226)/t114-,115-,116-,117-,118-,119-,120-,121+,123-,126-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,164-,165-,166-,167-,168-,169-,170-/m0/s1

InChIKey

OSFDHMUJLLYYJP-AEWCNQPTSA-N

Compound name

(4S)-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)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-(hexadecylamino)-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-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]-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71591899