(ac-cys-cys-gly-gly-ile-lys-lys-glu-ile-glu-ala-ile-lys-lys-glu-gln-glu-ala-ile-lys-lys-lys-ile-glu-ala-ile-glu-lys-llqltvwgikqlqaril-nh2)3

Structural Information

Molecular Formula

C₂₃₄H₄₀₇N₆₃O₆₃S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)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]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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](C)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](CCCCN)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]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)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](CC(C)C)C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C234H407N63O63S2/c1-35-124(21)183(288-174(305)114-253-173(304)113-254-198(325)167(116-361)287-223(350)168(117-362)260-137(34)299)225(352)274-145(70-49-58-100-239)206(333)264-143(68-47-56-98-237)205(332)271-160(85-95-181(317)318)218(345)296-189(130(27)41-7)231(358)279-157(82-92-178(311)312)202(329)258-134(31)195(322)292-186(127(24)38-4)228(355)277-147(72-51-60-102-241)208(335)263-142(67-46-55-97-236)204(331)270-158(83-93-179(313)314)212(339)268-152(77-87-170(245)301)211(338)269-155(80-90-176(307)308)200(327)257-133(30)194(321)291-185(126(23)37-3)227(354)276-146(71-50-59-101-240)207(334)262-141(66-45-54-96-235)203(330)266-149(74-53-62-104-243)216(343)294-188(129(26)40-6)230(357)278-156(81-91-177(309)310)201(328)259-135(32)196(323)293-187(128(25)39-5)229(356)280-159(84-94-180(315)316)213(340)265-144(69-48-57-99-238)210(337)282-164(109-121(15)16)221(348)285-163(108-120(13)14)220(347)273-154(79-89-172(247)303)215(342)284-165(110-122(17)18)222(349)297-191(136(33)298)233(360)290-182(123(19)20)224(351)286-166(111-138-112-252-140-65-44-43-64-139(138)140)197(324)255-115-175(306)289-184(125(22)36-2)226(353)275-148(73-52-61-103-242)209(336)267-153(78-88-171(246)302)214(341)283-162(107-119(11)12)219(346)272-151(76-86-169(244)300)199(326)256-132(29)193(320)261-150(75-63-105-251-234(249)250)217(344)295-190(131(28)42-8)232(359)281-161(192(248)319)106-118(9)10/h43-44,64-65,112,118-136,141-168,182-191,252,298,361-362H,35-42,45-63,66-111,113-117,235-243H2,1-34H3,(H2,244,300)(H2,245,301)(H2,246,302)(H2,247,303)(H2,248,319)(H,253,304)(H,254,325)(H,255,324)(H,256,326)(H,257,327)(H,258,329)(H,259,328)(H,260,299)(H,261,320)(H,262,334)(H,263,335)(H,264,333)(H,265,340)(H,266,330)(H,267,336)(H,268,339)(H,269,338)(H,270,331)(H,271,332)(H,272,346)(H,273,347)(H,274,352)(H,275,353)(H,276,354)(H,277,355)(H,278,357)(H,279,358)(H,280,356)(H,281,359)(H,282,337)(H,283,341)(H,284,342)(H,285,348)(H,286,351)(H,287,350)(H,288,305)(H,289,306)(H,290,360)(H,291,321)(H,292,322)(H,293,323)(H,294,343)(H,295,344)(H,296,345)(H,297,349)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H4,249,250,251)/t124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136+,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-/m0/s1

InChIKey

OODCDCPNNMYOBZ-CUOMGVDGSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[2-[[(2R)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-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]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16134117