Hiv24

Structural Information

Molecular Formula

C₁₄₇H₂₃₅N₃₉O₅₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@H]1CCC(=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](NC1=O)CCC(=O)O)CO)CCC(=O)N)CC(=O)N)CCC(=O)N)CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](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)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C147H235N39O53/c1-16-73(13)118(184-139(231)94(56-71(9)10)176-143(235)101(65-188)182-136(228)97(59-77-63-156-67-159-77)180-146(238)119(74(14)17-2)185-140(232)95(57-72(11)12)177-144(236)102(66-189)183-147(239)120(75(15)190)186-141(233)96(160-111(200)44-49-116(209)210)58-76-24-26-78(191)27-25-76)145(237)171-85-33-43-110(199)158-52-22-18-21-51-157-109(198)42-32-84(164-123(215)80(28-38-103(149)192)162-125(217)82(30-40-105(151)194)167-137(229)99(61-108(154)197)179-129(221)83(31-41-106(152)195)170-142(234)100(64-187)181-132(224)89(166-127(85)219)37-48-115(207)208)126(218)161-79(23-19-20-50-148)122(214)178-98(60-107(153)196)138(230)169-86(34-45-112(201)202)128(220)163-81(29-39-104(150)193)124(216)165-87(35-46-113(203)204)130(222)174-93(55-70(7)8)135(227)175-91(53-68(3)4)133(225)168-88(36-47-114(205)206)131(223)173-92(54-69(5)6)134(226)172-90(121(155)213)62-117(211)212/h24-27,63,67-75,79-102,118-120,187-191H,16-23,28-62,64-66,148H2,1-15H3,(H2,149,192)(H2,150,193)(H2,151,194)(H2,152,195)(H2,153,196)(H2,154,197)(H2,155,213)(H,156,159)(H,157,198)(H,158,199)(H,160,200)(H,161,218)(H,162,217)(H,163,220)(H,164,215)(H,165,216)(H,166,219)(H,167,229)(H,168,225)(H,169,230)(H,170,234)(H,171,237)(H,172,226)(H,173,223)(H,174,222)(H,175,227)(H,176,235)(H,177,236)(H,178,214)(H,179,221)(H,180,238)(H,181,224)(H,182,228)(H,183,239)(H,184,231)(H,185,232)(H,186,233)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)/t73-,74-,75+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,118-,119-,120-/m0/s1

InChIKey

XGTTZINGPGUYEA-GYMDETGXSA-N

Compound name

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

Related CIDs

• CID 16130240