Hiv31

Structural Information

Molecular Formula

C₁₅₃H₂₄₃N₄₁O₅₄

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@@H](CCC(=O)NCCCCCNC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CO)CC2=CN=CN2)[C@@H](C)CC)CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]4CCC(=O)NCCCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CCCCN)CC(=O)N)CCC(=O)O)CCC(=O)N)CCC(=O)O)CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N

InChI

InChI=1S/C153H243N41O54/c1-14-77(11)124-151(246)180-90(35-47-115(207)165-58-22-17-23-59-166-116(208)48-36-91(181-153(248)126(79(13)197)194-148(243)101(168-117(209)49-54-122(218)219)64-80-25-27-82(198)28-26-80)137(232)185-99(62-75(7)8)146(241)193-125(78(12)15-2)152(247)189-102(65-81-69-162-72-167-81)143(238)191-106(71-196)150(245)186-100(63-76(9)10)147(242)192-124)134(229)175-95(40-53-121(216)217)140(235)190-105(70-195)149(244)179-87(32-44-110(158)202)136(231)188-104(67-112(160)204)144(239)176-86(31-43-109(157)201)131(226)170-84(29-41-107(155)199)129(224)172-88-33-45-113(205)163-56-20-16-21-57-164-114(206)46-34-89(133(228)174-94(39-52-120(214)215)139(234)184-98(61-74(5)6)142(237)182-96(127(161)222)68-123(220)221)177-141(236)97(60-73(3)4)183-138(233)93(38-51-119(212)213)173-130(225)85(30-42-108(156)200)171-135(230)92(37-50-118(210)211)178-145(240)103(66-111(159)203)187-128(223)83(169-132(88)227)24-18-19-55-154/h25-28,69,72-79,83-106,124-126,195-198H,14-24,29-68,70-71,154H2,1-13H3,(H2,155,199)(H2,156,200)(H2,157,201)(H2,158,202)(H2,159,203)(H2,160,204)(H2,161,222)(H,162,167)(H,163,205)(H,164,206)(H,165,207)(H,166,208)(H,168,209)(H,169,227)(H,170,226)(H,171,230)(H,172,224)(H,173,225)(H,174,228)(H,175,229)(H,176,239)(H,177,236)(H,178,240)(H,179,244)(H,180,246)(H,181,248)(H,182,237)(H,183,233)(H,184,234)(H,185,232)(H,186,245)(H,187,223)(H,188,231)(H,189,247)(H,190,235)(H,191,238)(H,192,242)(H,193,241)(H,194,243)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)/t77-,78-,79+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,124-,125-,126-/m0/s1

InChIKey

JIUQEWIVUUPBBX-GTIIZKDVSA-N

Compound name

(4S)-4-[[(2S,5S,8S,11S,14S,17S,20S,34S)-34-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,14S,17S,20S,34S)-5,17-bis[(2S)-butan-2-yl]-34-[[(2S,3R)-2-[[(2S)-2-(3-carboxypropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-11-(hydroxymethyl)-8-(1H-imidazol-5-ylmethyl)-2,14-bis(2-methylpropyl)-3,6,9,12,15,18,23,31,35-nonaoxo-1,4,7,10,13,16,19,24,30-nonazacyclopentatriacontane-20-carbonyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-2-(4-aminobutyl)-5-(2-amino-2-oxoethyl)-11-(3-amino-3-oxopropyl)-8,14-bis(2-carboxyethyl)-17-(2-methylpropyl)-3,6,9,12,15,18,23,31,35-nonaoxo-1,4,7,10,13,16,19,24,30-nonazacyclopentatriacontane-20-carbonyl]amino]-5-[[(2S)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130282