Ytslieelikkseeqqkkneeelkkleewakkwnwf

Structural Information

Molecular Formula

C₂₁₁H₃₂₅N₅₁O₆₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)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)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)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](CC8=CC=C(C=C8)O)N

InChI

InChI=1S/C211H325N51O63/c1-15-112(11)173(260-204(317)150(94-110(7)8)250-195(308)145(70-81-170(283)284)242-193(306)147(72-83-172(287)288)247-209(322)174(113(12)16-2)261-205(318)151(95-111(9)10)251-207(320)159(107-264)259-210(323)175(115(14)265)262-177(290)125(220)96-117-58-60-121(266)61-59-117)208(321)246-136(57-33-41-91-219)181(294)233-135(56-32-40-90-218)185(298)258-158(106-263)206(319)245-143(68-79-168(279)280)192(305)239-139(64-75-164(271)272)188(301)237-138(63-74-161(222)268)187(300)236-137(62-73-160(221)267)186(299)234-130(51-27-35-85-213)179(292)232-134(55-31-39-89-217)184(297)255-155(101-162(223)269)202(315)244-142(67-78-167(277)278)191(304)238-140(65-76-165(273)274)189(302)240-144(69-80-169(281)282)194(307)249-148(92-108(3)4)198(311)235-131(52-28-36-86-214)180(293)231-132(53-29-37-87-215)182(295)248-149(93-109(5)6)199(312)243-141(66-77-166(275)276)190(303)241-146(71-82-171(285)286)196(309)252-152(98-118-103-225-126-47-23-20-44-122(118)126)197(310)228-114(13)176(289)229-129(50-26-34-84-212)178(291)230-133(54-30-38-88-216)183(296)253-153(99-119-104-226-127-48-24-21-45-123(119)127)200(313)256-156(102-163(224)270)203(316)254-154(100-120-105-227-128-49-25-22-46-124(120)128)201(314)257-157(211(324)325)97-116-42-18-17-19-43-116/h17-25,42-49,58-61,103-105,108-115,125,129-159,173-175,225-227,263-266H,15-16,26-41,50-57,62-102,106-107,212-220H2,1-14H3,(H2,221,267)(H2,222,268)(H2,223,269)(H2,224,270)(H,228,310)(H,229,289)(H,230,291)(H,231,293)(H,232,292)(H,233,294)(H,234,299)(H,235,311)(H,236,300)(H,237,301)(H,238,304)(H,239,305)(H,240,302)(H,241,303)(H,242,306)(H,243,312)(H,244,315)(H,245,319)(H,246,321)(H,247,322)(H,248,295)(H,249,307)(H,250,308)(H,251,320)(H,252,309)(H,253,296)(H,254,316)(H,255,297)(H,256,313)(H,257,314)(H,258,298)(H,259,323)(H,260,317)(H,261,318)(H,262,290)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,324,325)/t112-,113-,114-,115+,125-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,173-,174-,175-/m0/s1

InChIKey

UGSVXVWENFIJNU-MKCJMNQQSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-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]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-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]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71592018