Vir-576

Structural Information

Molecular Formula

C₂₂₄H₃₂₂N₄₂O₅₁S₂

SMILES

CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N5CCC[C@H]5C(=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](C(=O)N1)C)CCC(=O)O)CC(C)C)CC6=CC=CC=C6)C(C)C)CC7=CC=CC=C7)CCCCN)CC8=CC=CC=C8)CC(C)C)CC9=CC=CC=C9)CCC(=O)O)[C@@H](C)CC)CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C224H322N42O51S2/c1-23-131(17)183(255-187(279)135(21)230-192(284)146(89-93-177(271)272)234-189(281)145(227)107-125(5)6)220(312)263-103-59-85-171(263)212(304)251-165-123-318-319-124-166(207(299)250-164(122-268)205(297)258-186(134(20)26-4)223(315)266-106-62-88-174(266)219(311)262-102-58-84-170(262)209(301)237-149(92-96-180(277)278)195(287)244-158(114-140-69-41-30-42-70-140)200(292)240-154(110-128(11)12)198(290)242-156(112-138-65-37-28-38-66-138)191(283)229-120-176(270)233-151(80-52-54-98-226)217(309)260-100-56-82-168(260)211(303)246-161(117-143-75-47-33-48-76-143)203(295)254-182(130(15)16)215(307)248-162(224(316)317)118-144-77-49-34-50-78-144)252-213(305)172-86-60-104-264(172)221(313)184(132(18)24-2)256-188(280)136(22)231-193(285)147(90-94-178(273)274)235-196(288)152(108-126(7)8)238-201(293)159(115-141-71-43-31-44-72-141)247-214(306)181(129(13)14)253-202(294)160(116-142-73-45-32-46-74-142)245-210(302)167-81-55-99-259(167)216(308)150(79-51-53-97-225)232-175(269)119-228-190(282)155(111-137-63-35-27-36-64-137)241-197(289)153(109-127(9)10)239-199(291)157(113-139-67-39-29-40-68-139)243-194(286)148(91-95-179(275)276)236-208(300)169-83-57-101-261(169)218(310)173-87-61-105-265(173)222(314)185(133(19)25-3)257-204(296)163(121-267)249-206(165)298/h27-50,63-78,125-136,145-174,181-186,267-268H,23-26,51-62,79-124,225-227H2,1-22H3,(H,228,282)(H,229,283)(H,230,284)(H,231,285)(H,232,269)(H,233,270)(H,234,281)(H,235,288)(H,236,300)(H,237,301)(H,238,293)(H,239,291)(H,240,292)(H,241,289)(H,242,290)(H,243,286)(H,244,287)(H,245,302)(H,246,303)(H,247,306)(H,248,307)(H,249,298)(H,250,299)(H,251,304)(H,252,305)(H,253,294)(H,254,295)(H,255,279)(H,256,280)(H,257,296)(H,258,297)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,316,317)/t131-,132-,133-,134-,135-,136-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,181-,182-,183-,184-,185-,186-/m0/s1

InChIKey

QMLQPHUSDUODMB-MFQMBSFASA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(3S,9S,12S,15R,20R,23S,29S,32S,35S,38S,41S,44S,47S,50S,56S,62S,65S,68S,71S,74S)-56-(4-aminobutyl)-15-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-41,47,62,68-tetrabenzyl-9,29-bis[(2S)-butan-2-yl]-35,71-bis(2-carboxyethyl)-12-(hydroxymethyl)-32-methyl-38,65-bis(2-methylpropyl)-2,8,11,14,22,28,31,34,37,40,43,46,49,55,58,61,64,67,70,73-icosaoxo-44-propan-2-yl-17,18-dithia-1,7,10,13,21,27,30,33,36,39,42,45,48,54,57,60,63,66,69,72-icosazapentacyclo[72.3.0.03,7.023,27.050,54]heptaheptacontane-20-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16729392