Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-ala-leu-arg-glu-leu-gly-gly-ser-gly-gly-ser-trp-cooh

Structural Information

Molecular Formula

C₂₁₈H₃₃₇N₆₅O₇₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=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)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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C218H337N65O71/c1-25-101(10)170(280-183(322)113(22)251-186(325)128(47-36-76-233-215(225)226)260-206(345)149(88-168(311)312)277-204(343)146(84-117-89-237-124-43-31-28-40-121(117)124)273-182(321)111(20)249-189(328)135(58-68-161(297)298)267-203(342)147(85-118-90-238-125-44-32-29-41-122(118)125)278-213(352)173(115(24)287)283-209(348)169(224)114(23)286)210(349)253-112(21)179(318)258-138(61-71-164(303)304)198(337)275-145(83-116-51-53-120(288)54-52-116)201(340)252-106(15)176(315)244-107(16)177(316)256-131(50-39-79-236-218(231)232)200(339)281-171(102(11)26-2)212(351)270-137(60-70-163(301)302)190(329)250-110(19)181(320)272-144(82-100(8)9)207(346)282-172(103(12)27-3)211(350)269-129(48-37-77-234-216(227)228)187(326)247-104(13)174(313)245-108(17)178(317)257-132(55-65-153(220)289)193(332)265-140(63-73-166(307)308)197(336)263-133(56-66-154(221)290)194(333)262-134(57-67-155(222)291)195(334)266-139(62-72-165(305)306)196(335)259-127(46-34-35-75-219)192(331)276-148(87-156(223)292)205(344)268-136(59-69-162(299)300)188(327)248-105(14)175(314)246-109(18)180(319)271-143(81-99(6)7)202(341)261-130(49-38-78-235-217(229)230)191(330)264-141(64-74-167(309)310)199(338)274-142(80-98(4)5)184(323)242-92-157(293)240-94-159(295)254-151(96-284)185(324)243-93-158(294)241-95-160(296)255-152(97-285)208(347)279-150(214(353)354)86-119-91-239-126-45-33-30-42-123(119)126/h28-33,40-45,51-54,89-91,98-115,127-152,169-173,237-239,284-288H,25-27,34-39,46-50,55-88,92-97,219,224H2,1-24H3,(H2,220,289)(H2,221,290)(H2,222,291)(H2,223,292)(H,240,293)(H,241,294)(H,242,323)(H,243,324)(H,244,315)(H,245,313)(H,246,314)(H,247,326)(H,248,327)(H,249,328)(H,250,329)(H,251,325)(H,252,340)(H,253,349)(H,254,295)(H,255,296)(H,256,316)(H,257,317)(H,258,318)(H,259,335)(H,260,345)(H,261,341)(H,262,333)(H,263,336)(H,264,330)(H,265,332)(H,266,334)(H,267,342)(H,268,344)(H,269,350)(H,270,351)(H,271,319)(H,272,320)(H,273,321)(H,274,338)(H,275,337)(H,276,331)(H,277,343)(H,278,352)(H,279,347)(H,280,322)(H,281,339)(H,282,346)(H,283,348)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,353,354)(H4,225,226,233)(H4,227,228,234)(H4,229,230,235)(H4,231,232,236)/t101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+,115+,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,169-,170-,171-,172-,173-/m0/s1

InChIKey

JEOSEKKJMMGGIN-NMLYKFKUSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134149