Ac-ytslihslieesqnqqekneqelleldkwaspwnwf-nh2

Structural Information

Molecular Formula

C₂₀₃H₂₉₇N₅₁O₆₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](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](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[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CN=CN9)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](CC1=CC=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C203H297N51O64/c1-18-101(13)165(251-193(308)135(75-99(9)10)237-197(312)147(92-256)248-188(303)141(82-111-90-214-95-218-111)246-201(316)166(102(14)19-2)252-194(309)136(76-100(11)12)238-198(313)148(93-257)249-202(317)167(104(16)259)253-195(310)137(220-105(17)260)78-107-45-47-112(261)48-46-107)200(315)232-130(58-68-163(279)280)177(292)227-129(57-67-162(277)278)181(296)247-146(91-255)196(311)231-124(52-62-154(209)265)178(293)242-143(84-156(211)267)189(304)228-123(51-61-153(208)264)174(289)223-121(49-59-151(206)262)172(287)225-125(53-63-158(269)270)175(290)221-119(42-29-31-69-204)171(286)241-142(83-155(210)266)190(305)230-126(54-64-159(271)272)176(291)224-122(50-60-152(207)263)173(288)226-127(55-65-160(273)274)179(294)234-133(73-97(5)6)184(299)236-132(72-96(3)4)183(298)229-128(56-66-161(275)276)180(295)235-134(74-98(7)8)185(300)244-145(86-164(281)282)192(307)222-120(43-30-32-70-205)170(285)239-138(79-108-87-215-116-39-26-23-36-113(108)116)182(297)219-103(15)169(284)250-149(94-258)203(318)254-71-33-44-150(254)199(314)245-140(81-110-89-217-118-41-28-25-38-115(110)118)187(302)243-144(85-157(212)268)191(306)240-139(80-109-88-216-117-40-27-24-37-114(109)117)186(301)233-131(168(213)283)77-106-34-21-20-22-35-106/h20-28,34-41,45-48,87-90,95-104,119-150,165-167,215-217,255-259,261H,18-19,29-33,42-44,49-86,91-94,204-205H2,1-17H3,(H2,206,262)(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,283)(H,214,218)(H,219,297)(H,220,260)(H,221,290)(H,222,307)(H,223,289)(H,224,291)(H,225,287)(H,226,288)(H,227,292)(H,228,304)(H,229,298)(H,230,305)(H,231,311)(H,232,315)(H,233,301)(H,234,294)(H,235,295)(H,236,299)(H,237,312)(H,238,313)(H,239,285)(H,240,306)(H,241,286)(H,242,293)(H,243,302)(H,244,300)(H,245,314)(H,246,316)(H,247,296)(H,248,303)(H,249,317)(H,250,284)(H,251,308)(H,252,309)(H,253,310)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)/t101-,102-,103-,104+,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,165-,166-,167-/m0/s1

InChIKey

CWXAPUTUSQREDJ-RWLUTAHVSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-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]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-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-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]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]-5-oxopentanoic acid

Related CIDs

• CID 16130211