Wmewdreieelikkseelikkieeqikkqeesikk

Structural Information

Molecular Formula

C₁₉₉H₃₂₈N₅₀O₆₂S

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@@H](C)CC)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/C199H328N50O62S/c1-18-104(11)158(192(304)231-119(51-30-38-85-202)166(278)217-117(49-28-36-83-200)165(277)221-125(58-70-145(209)252)172(284)223-128(61-73-148(256)257)174(286)227-133(66-78-153(266)267)181(293)243-144(101-251)191(303)249-163(109(16)23-6)195(307)234-122(54-33-41-88-205)170(282)237-138(198(310)311)56-35-43-90-207)245-184(296)126(59-71-146(210)253)222-173(285)127(60-72-147(254)255)224-176(288)134(67-79-154(268)269)235-196(308)159(105(12)19-2)244-183(295)123(55-34-42-89-206)219-168(280)121(53-32-40-87-204)233-194(306)162(108(15)22-5)248-188(300)139(93-102(7)8)238-178(290)130(63-75-150(260)261)225-175(287)129(62-74-149(258)259)230-190(302)143(100-250)242-171(283)118(50-29-37-84-201)218-167(279)120(52-31-39-86-203)232-193(305)161(107(14)21-4)247-189(301)140(94-103(9)10)239-179(291)131(64-76-151(262)263)226-177(289)135(68-80-155(270)271)236-197(309)160(106(13)20-3)246-185(297)136(69-81-156(272)273)229-169(281)124(57-44-91-213-199(211)212)220-187(299)142(97-157(274)275)241-186(298)141(96-111-99-215-116-48-27-25-46-113(111)116)240-180(292)132(65-77-152(264)265)228-182(294)137(82-92-312-17)216-164(276)114(208)95-110-98-214-115-47-26-24-45-112(110)115/h24-27,45-48,98-99,102-109,114,117-144,158-163,214-215,250-251H,18-23,28-44,49-97,100-101,200-208H2,1-17H3,(H2,209,252)(H2,210,253)(H,216,276)(H,217,278)(H,218,279)(H,219,280)(H,220,299)(H,221,277)(H,222,285)(H,223,284)(H,224,288)(H,225,287)(H,226,289)(H,227,286)(H,228,294)(H,229,281)(H,230,302)(H,231,304)(H,232,305)(H,233,306)(H,234,307)(H,235,308)(H,236,309)(H,237,282)(H,238,290)(H,239,291)(H,240,292)(H,241,298)(H,242,283)(H,243,293)(H,244,295)(H,245,296)(H,246,297)(H,247,301)(H,248,300)(H,249,303)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,310,311)(H4,211,212,213)/t104-,105-,106-,107-,108-,109-,114-,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-,144-,158-,159-,160-,161-,162-,163-/m0/s1

InChIKey

UAWOKRKYEJBUDI-BYGAWERPSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-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]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 86574962