Nh2-met-thr-trp-met-glu-trp-asp-arg-glu-ile-asn-asn-tyr-thr-ser-leu-ile-his-ser-leu-ile-glu-glu-ile-gln-asn-ile-gln-glu-lys-ile-glu-gln-glu-leu-leu-glu-leu-cooh

Structural Information

Molecular Formula

C₂₁₀H₃₂₈N₅₂O₆₈S₂

SMILES

CC[C@H](C)[C@@H](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)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)CC)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](CC1=CN=CN1)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](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)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](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C210H328N52O68S2/c1-27-102(17)164(202(322)238-129(57-68-159(282)283)177(297)228-122(50-61-149(213)268)174(294)230-126(54-65-156(276)277)180(300)240-135(79-98(9)10)188(308)241-134(78-97(7)8)187(307)234-128(56-67-158(280)281)182(302)252-146(209(329)330)82-101(15)16)255-184(304)120(44-37-38-74-211)226-176(296)125(53-64-155(274)275)229-175(295)123(51-62-150(214)269)236-203(323)167(105(20)30-4)260-198(318)144(89-154(218)273)246-179(299)124(52-63-151(215)270)237-201(321)165(103(18)28-2)256-186(306)132(60-71-162(288)289)233-178(298)130(58-69-160(284)285)239-204(324)166(104(19)29-3)258-195(315)136(80-99(11)12)242-199(319)147(94-263)253-191(311)141(86-113-93-221-96-225-113)250-205(325)169(107(22)32-6)259-196(316)137(81-100(13)14)243-200(320)148(95-264)254-208(328)171(109(24)266)262-197(317)138(83-110-46-48-114(267)49-47-110)244-192(312)142(87-152(216)271)247-193(313)143(88-153(217)272)251-206(326)168(106(21)31-5)257-185(305)131(59-70-161(286)287)232-173(293)121(45-39-75-222-210(219)220)227-194(314)145(90-163(290)291)248-190(310)139(84-111-91-223-118-42-35-33-40-115(111)118)245-181(301)127(55-66-157(278)279)231-183(303)133(73-77-332-26)235-189(309)140(85-112-92-224-119-43-36-34-41-116(112)119)249-207(327)170(108(23)265)261-172(292)117(212)72-76-331-25/h33-36,40-43,46-49,91-93,96-109,117,120-148,164-171,223-224,263-267H,27-32,37-39,44-45,50-90,94-95,211-212H2,1-26H3,(H2,213,268)(H2,214,269)(H2,215,270)(H2,216,271)(H2,217,272)(H2,218,273)(H,221,225)(H,226,296)(H,227,314)(H,228,297)(H,229,295)(H,230,294)(H,231,303)(H,232,293)(H,233,298)(H,234,307)(H,235,309)(H,236,323)(H,237,321)(H,238,322)(H,239,324)(H,240,300)(H,241,308)(H,242,319)(H,243,320)(H,244,312)(H,245,301)(H,246,299)(H,247,313)(H,248,310)(H,249,327)(H,250,325)(H,251,326)(H,252,302)(H,253,311)(H,254,328)(H,255,304)(H,256,306)(H,257,305)(H,258,315)(H,259,316)(H,260,318)(H,261,292)(H,262,317)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,329,330)(H4,219,220,222)/t102-,103-,104-,105-,106-,107-,108+,109+,117-,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-,164-,165-,166-,167-,168-,169-,170-,171-/m0/s1

InChIKey

AJLZEGALXSEHBH-VQVHFITPSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-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-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]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-oxobutanoyl]amino]-4-oxobutanoyl]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-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134222