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-ala-glu-ala-ala-leu-arg-glu-trp-glu-trp-phe-cooh

Structural Information

Molecular Formula

C₂₂₂H₃₂₉N₆₁O₆₆

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](C)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](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CC=CC=C6)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](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C222H329N61O66/c1-24-105(8)174(280-188(318)118(21)252-190(320)137(55-40-86-236-219(228)229)260-211(341)159(98-172(306)307)277-209(339)155(94-123-99-240-132-50-34-30-46-128(123)132)273-187(317)116(19)250-193(323)145(67-78-165(292)293)267-208(338)158(97-126-102-243-135-53-37-33-49-131(126)135)278-217(347)177(120(23)285)283-213(343)173(227)119(22)284)214(344)254-117(20)184(314)258-147(69-80-167(296)297)201(331)274-154(92-122-59-61-127(286)62-60-122)205(335)253-110(13)180(310)244-111(14)181(311)255-140(58-43-89-239-222(234)235)204(334)281-175(106(9)25-2)216(346)270-146(68-79-166(294)295)194(324)251-115(18)186(316)272-153(91-104(6)7)212(342)282-176(107(10)26-3)215(345)269-138(56-41-87-237-220(230)231)191(321)247-108(11)178(308)245-112(15)182(312)256-141(63-74-161(224)287)196(326)265-149(71-82-169(300)301)200(330)263-142(64-75-162(225)288)197(327)262-143(65-76-163(226)289)198(328)266-148(70-81-168(298)299)199(329)259-136(54-38-39-85-223)189(319)249-114(17)183(313)257-144(66-77-164(290)291)192(322)248-109(12)179(309)246-113(16)185(315)271-152(90-103(4)5)206(336)261-139(57-42-88-238-221(232)233)195(325)264-150(72-83-170(302)303)202(332)275-156(95-124-100-241-133-51-35-31-47-129(124)133)207(337)268-151(73-84-171(304)305)203(333)276-157(96-125-101-242-134-52-36-32-48-130(125)134)210(340)279-160(218(348)349)93-121-44-28-27-29-45-121/h27-37,44-53,59-62,99-120,136-160,173-177,240-243,284-286H,24-26,38-43,54-58,63-98,223,227H2,1-23H3,(H2,224,287)(H2,225,288)(H2,226,289)(H,244,310)(H,245,308)(H,246,309)(H,247,321)(H,248,322)(H,249,319)(H,250,323)(H,251,324)(H,252,320)(H,253,335)(H,254,344)(H,255,311)(H,256,312)(H,257,313)(H,258,314)(H,259,329)(H,260,341)(H,261,336)(H,262,327)(H,263,330)(H,264,325)(H,265,326)(H,266,328)(H,267,338)(H,268,337)(H,269,345)(H,270,346)(H,271,315)(H,272,316)(H,273,317)(H,274,331)(H,275,332)(H,276,333)(H,277,339)(H,278,347)(H,279,340)(H,280,318)(H,281,334)(H,282,342)(H,283,343)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,348,349)(H4,228,229,236)(H4,230,231,237)(H4,232,233,238)(H4,234,235,239)/t105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,120+,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,173-,174-,175-,176-,177-/m0/s1

InChIKey

BFROKFHGCZAWBG-BGVHBFTFSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-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,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]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-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]-5-oxopentanoic acid

Related CIDs

• CID 16134194