Nh2-asn-lys-glu-leu-glu-gln-arg-trp-asn-asn-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-cooh

Structural Information

Molecular Formula

C₂₄₉H₃₉₀N₇₆O₈₀

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

InChI

InChI=1S/C249H390N76O80/c1-27-115(12)192(321-206(366)127(24)286-208(368)144(53-40-90-271-245(261)262)295-236(396)172(107-191(355)356)318-232(392)166(100-131-108-276-139-48-33-30-45-135(131)139)311-205(365)125(22)284-211(371)153(66-79-182(337)338)304-231(391)168(102-133-110-278-141-50-35-32-47-137(133)141)319-242(402)195(128(25)326)325-243(403)196(129(26)327)324-238(398)171(106-181(260)336)317-235(395)170(105-180(259)335)316-233(393)167(101-132-109-277-140-49-34-31-46-136(132)140)314-216(376)147(56-43-93-274-248(267)268)294-218(378)150(63-76-175(254)330)298-223(383)159(72-85-188(349)350)306-230(390)163(96-112(6)7)312-225(385)160(73-86-189(351)352)300-213(373)142(51-36-38-88-250)292-207(367)138(252)103-178(257)333)239(399)288-126(23)202(362)291-156(69-82-185(343)344)224(384)313-165(99-130-58-60-134(328)61-59-130)228(388)287-120(17)199(359)279-121(18)200(360)289-148(57-44-94-275-249(269)270)227(387)322-193(116(13)28-2)241(401)308-155(68-81-184(341)342)212(372)285-124(21)204(364)310-164(97-113(8)9)237(397)323-194(117(14)29-3)240(400)307-145(54-41-91-272-246(263)264)209(369)282-118(15)197(357)280-122(19)201(361)290-149(62-75-174(253)329)217(377)302-158(71-84-187(347)348)222(382)299-151(64-77-176(255)331)219(379)297-152(65-78-177(256)332)220(380)303-157(70-83-186(345)346)221(381)293-143(52-37-39-89-251)215(375)315-169(104-179(258)334)234(394)305-154(67-80-183(339)340)210(370)283-119(16)198(358)281-123(20)203(363)309-162(95-111(4)5)229(389)296-146(55-42-92-273-247(265)266)214(374)301-161(74-87-190(353)354)226(386)320-173(244(404)405)98-114(10)11/h30-35,45-50,58-61,108-129,138,142-173,192-196,276-278,326-328H,27-29,36-44,51-57,62-107,250-252H2,1-26H3,(H2,253,329)(H2,254,330)(H2,255,331)(H2,256,332)(H2,257,333)(H2,258,334)(H2,259,335)(H2,260,336)(H,279,359)(H,280,357)(H,281,358)(H,282,369)(H,283,370)(H,284,371)(H,285,372)(H,286,368)(H,287,388)(H,288,399)(H,289,360)(H,290,361)(H,291,362)(H,292,367)(H,293,381)(H,294,378)(H,295,396)(H,296,389)(H,297,379)(H,298,383)(H,299,382)(H,300,373)(H,301,374)(H,302,377)(H,303,380)(H,304,391)(H,305,394)(H,306,390)(H,307,400)(H,308,401)(H,309,363)(H,310,364)(H,311,365)(H,312,385)(H,313,384)(H,314,376)(H,315,375)(H,316,393)(H,317,395)(H,318,392)(H,319,402)(H,320,386)(H,321,366)(H,322,387)(H,323,397)(H,324,398)(H,325,403)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,404,405)(H4,261,262,271)(H4,263,264,272)(H4,265,266,273)(H4,267,268,274)(H4,269,270,275)/t115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129+,138-,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-,169-,170-,171-,172-,173-,192-,193-,194-,195-,196-/m0/s1

InChIKey

ZWOWZWYODYKORZ-MBUYDURCSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-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-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]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]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134167