Schembl30272568

Structural Information

Molecular Formula

C₁₉₅H₂₉₂N₅₀O₆₂

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)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)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

InChI

InChI=1S/C195H292N50O62/c1-20-97(15)158(244-187(299)130(71-95(11)12)230-191(303)142(88-248)242-182(294)135(77-106-85-206-90-210-106)239-194(306)159(98(16)21-2)245-188(300)131(72-96(13)14)231-192(304)143(89-249)243-195(307)160(100(18)250)212-101(19)251)193(305)224-124(54-64-156(269)270)170(282)219-123(53-63-155(267)268)174(286)241-141(87-247)189(301)223-118(48-58-147(201)255)171(283)236-137(79-149(203)257)183(295)220-117(47-57-146(200)254)167(279)215-115(45-55-144(198)252)165(277)217-119(49-59-151(259)260)168(280)213-113(43-31-33-65-196)164(276)235-136(78-148(202)256)184(296)222-120(50-60-152(261)262)169(281)216-116(46-56-145(199)253)166(278)218-121(51-61-153(263)264)172(284)226-127(68-92(5)6)177(289)228-126(67-91(3)4)176(288)221-122(52-62-154(265)266)173(285)227-128(69-93(7)8)179(291)238-139(81-157(271)272)186(298)214-114(44-32-34-66-197)163(275)232-132(74-103-82-207-110-40-28-25-37-107(103)110)175(287)211-99(17)162(274)240-140(86-246)190(302)229-129(70-94(9)10)178(290)233-134(76-105-84-209-112-42-30-27-39-109(105)112)181(293)237-138(80-150(204)258)185(297)234-133(75-104-83-208-111-41-29-26-38-108(104)111)180(292)225-125(161(205)273)73-102-35-23-22-24-36-102/h22-30,35-42,82-85,90-100,113-143,158-160,207-209,246-250H,20-21,31-34,43-81,86-89,196-197H2,1-19H3,(H2,198,252)(H2,199,253)(H2,200,254)(H2,201,255)(H2,202,256)(H2,203,257)(H2,204,258)(H2,205,273)(H,206,210)(H,211,287)(H,212,251)(H,213,280)(H,214,298)(H,215,279)(H,216,281)(H,217,277)(H,218,278)(H,219,282)(H,220,295)(H,221,288)(H,222,296)(H,223,301)(H,224,305)(H,225,292)(H,226,284)(H,227,285)(H,228,289)(H,229,302)(H,230,303)(H,231,304)(H,232,275)(H,233,290)(H,234,297)(H,235,276)(H,236,283)(H,237,293)(H,238,291)(H,239,306)(H,240,274)(H,241,286)(H,242,294)(H,243,307)(H,244,299)(H,245,300)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)/t97-,98-,99-,100+,113-,114-,115-,116-,117-,118-,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-,158-,159-,160-/m0/s1

InChIKey

KJCLLBCZCVOEBK-ZFUUGXARSA-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-acetamido-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)-1-[[(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]amino]-4-methyl-1-oxopentan-2-yl]amino]-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 16197467