(hexadecane)-hqtlsgidqeqnnltrlieaqihelq

Structural Information

Molecular Formula

C₁₄₄H₂₄₂N₄₀O₄₅

SMILES

CCCCCCCCCCCCCCCCN[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)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]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)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]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O

InChI

InChI=1S/C144H242N40O45/c1-19-23-24-25-26-27-28-29-30-31-32-33-34-35-54-156-92(60-81-65-154-69-159-81)129(214)165-87(41-49-105(148)191)128(213)183-118(80(18)187)142(227)176-94(57-72(7)8)131(216)179-101(68-185)120(205)158-67-109(195)180-114(75(13)20-2)138(223)178-100(64-113(202)203)135(220)166-84(38-46-102(145)188)123(208)164-89(44-52-111(198)199)124(209)163-85(39-47-103(146)189)125(210)174-98(62-107(150)193)134(219)175-99(63-108(151)194)133(218)173-96(59-74(11)12)137(222)184-117(79(17)186)141(226)168-83(37-36-55-157-144(152)153)122(207)172-95(58-73(9)10)136(221)182-115(76(14)21-3)139(224)169-88(43-51-110(196)197)121(206)161-78(16)119(204)162-86(40-48-104(147)190)127(212)181-116(77(15)22-4)140(225)177-97(61-82-66-155-70-160-82)132(217)167-90(45-53-112(200)201)126(211)171-93(56-71(5)6)130(215)170-91(143(228)229)42-50-106(149)192/h65-66,69-80,83-101,114-118,156,185-187H,19-64,67-68H2,1-18H3,(H2,145,188)(H2,146,189)(H2,147,190)(H2,148,191)(H2,149,192)(H2,150,193)(H2,151,194)(H,154,159)(H,155,160)(H,158,205)(H,161,206)(H,162,204)(H,163,209)(H,164,208)(H,165,214)(H,166,220)(H,167,217)(H,168,226)(H,169,224)(H,170,215)(H,171,211)(H,172,207)(H,173,218)(H,174,210)(H,175,219)(H,176,227)(H,177,225)(H,178,223)(H,179,216)(H,180,195)(H,181,212)(H,182,221)(H,183,213)(H,184,222)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,228,229)(H4,152,153,157)/t75-,76-,77-,78-,79+,80+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,114-,115-,116-,117-,118-/m0/s1

InChIKey

ZICSWLOVMDEUHC-QVXNDLLZSA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-(hexadecylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71591919