Chembl440999

Structural Information

Molecular Formula

C₂₀₂H₂₉₈N₅₀O₆₄

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)O)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@H](CC9=CC=C(C=C9)O)N

InChI

InChI=1S/C202H298N50O64/c1-19-101(15)164(250-193(306)135(74-99(11)12)235-197(310)148(92-255)248-188(301)140(81-110-89-213-94-217-110)244-200(313)165(102(16)20-2)251-194(307)136(75-100(13)14)236-198(311)149(93-256)249-201(314)166(104(18)257)252-168(281)115(205)76-106-44-46-111(258)47-45-106)199(312)230-130(57-67-162(276)277)176(289)225-129(56-66-161(274)275)180(293)247-147(91-254)195(308)229-124(51-61-153(209)262)177(290)241-142(83-155(211)264)189(302)226-123(50-60-152(208)261)173(286)221-121(48-58-150(206)259)171(284)223-125(52-62-157(266)267)174(287)219-119(42-30-32-68-203)170(283)240-141(82-154(210)263)190(303)228-126(53-63-158(268)269)175(288)222-122(49-59-151(207)260)172(285)224-127(54-64-159(270)271)178(291)231-132(71-96(5)6)183(296)233-131(70-95(3)4)182(295)227-128(55-65-160(272)273)179(292)232-133(72-97(7)8)185(298)243-144(85-163(278)279)192(305)220-120(43-31-33-69-204)169(282)237-137(78-107-86-214-116-39-27-24-36-112(107)116)181(294)218-103(17)167(280)246-146(90-253)196(309)234-134(73-98(9)10)184(297)238-138(79-108-87-215-117-40-28-25-37-113(108)117)186(299)242-143(84-156(212)265)191(304)239-139(80-109-88-216-118-41-29-26-38-114(109)118)187(300)245-145(202(315)316)77-105-34-22-21-23-35-105/h21-29,34-41,44-47,86-89,94-104,115,119-149,164-166,214-216,253-258H,19-20,30-33,42-43,48-85,90-93,203-205H2,1-18H3,(H2,206,259)(H2,207,260)(H2,208,261)(H2,209,262)(H2,210,263)(H2,211,264)(H2,212,265)(H,213,217)(H,218,294)(H,219,287)(H,220,305)(H,221,286)(H,222,288)(H,223,284)(H,224,285)(H,225,289)(H,226,302)(H,227,295)(H,228,303)(H,229,308)(H,230,312)(H,231,291)(H,232,292)(H,233,296)(H,234,309)(H,235,310)(H,236,311)(H,237,282)(H,238,297)(H,239,304)(H,240,283)(H,241,290)(H,242,299)(H,243,298)(H,244,313)(H,245,300)(H,246,280)(H,247,293)(H,248,301)(H,249,314)(H,250,306)(H,251,307)(H,252,281)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,315,316)/t101-,102-,103-,104+,115-,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-,164-,165-,166-/m0/s1

InChIKey

FAOSXBASBLDSBE-LZGXBFJGSA-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-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]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]-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-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-amino-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-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133586