Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-trp-gln-glu-trp-glu-gln-lys-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-ala-leu-arg-glu-trp-glu-trp-phe-cooh

Structural Information

Molecular Formula

C₂₃₆H₃₃₈N₆₄O₇₀

SMILES

CC[C@H](C)[C@@H](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](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](C)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](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C236H338N64O70/c1-18-113(7)190(298-218(354)144(57-36-38-90-238)270-208(344)149(62-76-174(240)304)274-214(350)158(71-85-184(319)320)283-221(357)166(99-127-107-257-139-52-31-25-46-133(127)139)292-216(352)160(73-87-186(323)324)279-211(347)152(65-79-177(243)307)280-220(356)164(97-125-105-255-137-50-29-23-44-131(125)137)289-198(334)120(14)265-200(336)145(58-39-91-252-234(246)247)271-227(363)171(104-188(327)328)295-224(360)165(98-126-106-256-138-51-30-24-45-132(126)138)290-199(335)121(15)266-203(339)153(66-80-179(309)310)281-223(359)169(102-130-110-260-142-55-34-28-49-136(130)142)296-232(368)192(123(17)302)300-229(365)189(245)122(16)301)231(367)286-155(68-82-181(313)314)204(340)267-119(13)197(333)288-163(95-112(5)6)228(364)299-191(114(8)19-2)230(366)285-146(59-40-92-253-235(248)249)201(337)263-115(9)193(329)261-117(11)195(331)268-148(61-75-173(239)303)207(343)277-157(70-84-183(317)318)213(349)275-150(63-77-175(241)305)209(345)273-151(64-78-176(242)306)210(346)278-156(69-83-182(315)316)212(348)269-143(56-35-37-89-237)206(342)294-170(103-178(244)308)226(362)282-154(67-81-180(311)312)202(338)264-116(10)194(330)262-118(12)196(332)287-162(94-111(3)4)219(355)272-147(60-41-93-254-236(250)251)205(341)276-159(72-86-185(321)322)215(351)291-167(100-128-108-258-140-53-32-26-47-134(128)140)222(358)284-161(74-88-187(325)326)217(353)293-168(101-129-109-259-141-54-33-27-48-135(129)141)225(361)297-172(233(369)370)96-124-42-21-20-22-43-124/h20-34,42-55,105-123,143-172,189-192,255-260,301-302H,18-19,35-41,56-104,237-238,245H2,1-17H3,(H2,239,303)(H2,240,304)(H2,241,305)(H2,242,306)(H2,243,307)(H2,244,308)(H,261,329)(H,262,330)(H,263,337)(H,264,338)(H,265,336)(H,266,339)(H,267,340)(H,268,331)(H,269,348)(H,270,344)(H,271,363)(H,272,355)(H,273,345)(H,274,350)(H,275,349)(H,276,341)(H,277,343)(H,278,346)(H,279,347)(H,280,356)(H,281,359)(H,282,362)(H,283,357)(H,284,358)(H,285,366)(H,286,367)(H,287,332)(H,288,333)(H,289,334)(H,290,335)(H,291,351)(H,292,352)(H,293,353)(H,294,342)(H,295,360)(H,296,368)(H,297,361)(H,298,354)(H,299,364)(H,300,365)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,369,370)(H4,246,247,252)(H4,248,249,253)(H4,250,251,254)/t113-,114-,115-,116-,117-,118-,119-,120-,121-,122+,123+,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-,169-,170-,171-,172-,189-,190-,191-,192-/m0/s1

InChIKey

GRHVJPLIBFWGPP-ICBNOBAGSA-N

Compound name

(4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-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-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]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]-5-[[(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-[[(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]-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]-5-oxopentanoic acid

Related CIDs

• CID 16134202