Wmewdreieelikkseelikkieeqikkqeesakk

Structural Information

Molecular Formula

C₁₉₆H₃₂₂N₅₀O₆₂S

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](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)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](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)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](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)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](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C196H322N50O62S/c1-17-102(10)156(190(302)230-118(50-29-37-84-200)164(276)216-116(48-27-35-82-198)163(275)220-123(56-68-143(206)249)170(282)222-126(59-71-146(253)254)172(284)226-131(64-76-151(263)264)179(291)240-141(98-247)188(300)213-107(15)161(273)214-115(47-26-34-81-197)168(280)235-136(195(307)308)54-33-41-88-204)243-182(294)124(57-69-144(207)250)221-171(283)125(58-70-145(251)252)223-174(286)132(65-77-152(265)266)233-193(305)157(103(11)18-2)242-181(293)121(53-32-40-87-203)218-166(278)120(52-31-39-86-202)232-192(304)160(106(14)21-5)246-186(298)137(91-100(6)7)236-176(288)128(61-73-148(257)258)224-173(285)127(60-72-147(255)256)229-189(301)142(99-248)241-169(281)117(49-28-36-83-199)217-165(277)119(51-30-38-85-201)231-191(303)159(105(13)20-4)245-187(299)138(92-101(8)9)237-177(289)129(62-74-149(259)260)225-175(287)133(66-78-153(267)268)234-194(306)158(104(12)19-3)244-183(295)134(67-79-154(269)270)228-167(279)122(55-42-89-210-196(208)209)219-185(297)140(95-155(271)272)239-184(296)139(94-109-97-212-114-46-25-23-44-111(109)114)238-178(290)130(63-75-150(261)262)227-180(292)135(80-90-309-16)215-162(274)112(205)93-108-96-211-113-45-24-22-43-110(108)113/h22-25,43-46,96-97,100-107,112,115-142,156-160,211-212,247-248H,17-21,26-42,47-95,98-99,197-205H2,1-16H3,(H2,206,249)(H2,207,250)(H,213,300)(H,214,273)(H,215,274)(H,216,276)(H,217,277)(H,218,278)(H,219,297)(H,220,275)(H,221,283)(H,222,282)(H,223,286)(H,224,285)(H,225,287)(H,226,284)(H,227,292)(H,228,279)(H,229,301)(H,230,302)(H,231,303)(H,232,304)(H,233,305)(H,234,306)(H,235,280)(H,236,288)(H,237,289)(H,238,290)(H,239,296)(H,240,291)(H,241,281)(H,242,293)(H,243,294)(H,244,295)(H,245,299)(H,246,298)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,307,308)(H4,208,209,210)/t102-,103-,104-,105-,106-,107-,112-,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-,156-,157-,158-,159-,160-/m0/s1

InChIKey

ODRIUFFRYDZHEI-QCVPCVSPSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-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)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]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]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 86574961