(cholesterol)-rqllsgivqqqnnllraieaqqhllqk

Structural Information

Molecular Formula

C₁₆₂H₂₇₇N₄₅O₄₁

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)NCC(C)CCCCC2CCC3[C@@]2(CCC4C3CC=C5[C@@]4(CC[C@@H](C5)O)C)C

InChI

InChI=1S/C162H277N45O41/c1-24-87(18)131(205-128(219)76-181-135(224)118(77-208)204-151(240)114(69-84(13)14)198-148(237)111(66-81(7)8)195-143(232)103(44-52-122(167)213)187-136(225)98(35-30-62-178-159(173)174)180-74-86(17)32-26-27-33-91-38-40-96-95-39-37-92-70-94(209)57-59-162(92,23)97(95)58-60-161(91,96)22)157(246)206-130(85(15)16)155(244)192-106(47-55-125(170)216)141(230)188-101(42-50-120(165)211)140(229)190-105(46-54-124(169)215)145(234)202-116(72-126(171)217)154(243)203-117(73-127(172)218)153(242)200-113(68-83(11)12)150(239)196-109(64-79(3)4)146(235)186-99(36-31-63-179-160(175)176)137(226)184-90(21)134(223)207-132(88(19)25-2)156(245)193-107(48-56-129(220)221)138(227)183-89(20)133(222)185-100(41-49-119(164)210)139(228)189-104(45-53-123(168)214)144(233)201-115(71-93-75-177-78-182-93)152(241)199-112(67-82(9)10)149(238)197-110(65-80(5)6)147(236)191-102(43-51-121(166)212)142(231)194-108(158(247)248)34-28-29-61-163/h37,75,78-91,94-118,130-132,180,208-209H,24-36,38-74,76-77,163H2,1-23H3,(H2,164,210)(H2,165,211)(H2,166,212)(H2,167,213)(H2,168,214)(H2,169,215)(H2,170,216)(H2,171,217)(H2,172,218)(H,177,182)(H,181,224)(H,183,227)(H,184,226)(H,185,222)(H,186,235)(H,187,225)(H,188,230)(H,189,228)(H,190,229)(H,191,236)(H,192,244)(H,193,245)(H,194,231)(H,195,232)(H,196,239)(H,197,238)(H,198,237)(H,199,241)(H,200,242)(H,201,233)(H,202,234)(H,203,243)(H,204,240)(H,205,219)(H,206,246)(H,207,223)(H,220,221)(H,247,248)(H4,173,174,178)(H4,175,176,179)/t86?,87-,88-,89-,90-,91?,94-,95?,96?,97?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,130-,131-,132-,161+,162-/m0/s1

InChIKey

SAUIWBNNZLJYSN-OQIDVZAESA-N

Compound name

(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(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-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-carbamimidamido-2-[[6-[(3S,10R,13R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhexyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]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]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

Related CIDs

• CID 71591915