Hiv30

Structural Information

Molecular Formula

C₁₄₆H₂₃₀N₃₈O₅₆

SMILES

CC[C@H](C)[C@H]1C(=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)N[C@@H](CCC(=O)NCCCCCNC(=O)CC[C@@H](C(=O)N1)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)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)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)CC(=O)N)CCC(=O)N)CO)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C146H230N38O56/c1-14-71(11)117-144(238)170-88(36-48-114(208)209)127(221)164-87(35-47-113(206)207)131(225)179-98(63-185)141(235)168-80(28-39-103(150)192)128(222)177-97(60-105(152)194)137(231)165-81(29-40-106(195)155-51-19-16-20-52-156-107(196)41-30-82(132(226)182-117)169-142(236)99(64-186)180-136(230)95(58-75-62-154-66-157-75)178-145(239)118(72(12)15-2)183-139(233)93(56-70(9)10)175-143(237)100(65-187)181-146(240)119(73(13)188)184-140(234)94(158-108(197)42-49-115(210)211)57-74-22-24-76(189)25-23-74)124(218)160-78(26-37-101(148)190)122(216)162-83(31-43-109(198)199)125(219)159-77(21-17-18-50-147)121(215)176-96(59-104(151)193)138(232)167-84(32-44-110(200)201)126(220)161-79(27-38-102(149)191)123(217)163-85(33-45-111(202)203)129(223)173-92(55-69(7)8)135(229)174-90(53-67(3)4)133(227)166-86(34-46-112(204)205)130(224)172-91(54-68(5)6)134(228)171-89(120(153)214)61-116(212)213/h22-25,62,66-73,77-100,117-119,185-189H,14-21,26-61,63-65,147H2,1-13H3,(H2,148,190)(H2,149,191)(H2,150,192)(H2,151,193)(H2,152,194)(H2,153,214)(H,154,157)(H,155,195)(H,156,196)(H,158,197)(H,159,219)(H,160,218)(H,161,220)(H,162,216)(H,163,217)(H,164,221)(H,165,231)(H,166,227)(H,167,232)(H,168,235)(H,169,236)(H,170,238)(H,171,228)(H,172,224)(H,173,223)(H,174,229)(H,175,237)(H,176,215)(H,177,222)(H,178,239)(H,179,225)(H,180,230)(H,181,240)(H,182,226)(H,183,233)(H,184,234)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)/t71-,72-,73+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,117-,118-,119-/m0/s1

InChIKey

XDCYNQWCVILZRA-MHABTSDKSA-N

Compound name

(4S)-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(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]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-5-amino-2-[[(2S,5S,8S,11S,14S,17S,20S,34S)-17-(2-amino-2-oxoethyl)-14-(3-amino-3-oxopropyl)-2-[(2S)-butan-2-yl]-5,8-bis(2-carboxyethyl)-34-[[(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]-11-(hydroxymethyl)-3,6,9,12,15,18,23,31,35-nonaoxo-1,4,7,10,13,16,19,24,30-nonazacyclopentatriacontane-20-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130281