Ac-arg-met-lys-gln-ile-glu-asp-lys-ile-glu-glu-ile-glu-ser-lys-gln-lys-lys-ile-glu-asn-glu-ile-alaarg-ile-lys-lys-leu-leu-gln-leu-thr-val-trp-gly-ile-lys-gln-leu-gln-ala-arg-ile-leu-nh2

Structural Information

Molecular Formula

C₂₄₅H₄₂₆N₇₀O₆₈S

SMILES

CC[C@H](C)[C@@H](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)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C245H426N70O68S/c1-34-128(21)190(235(376)291-149(70-49-57-104-251)209(350)284-156(78-89-177(256)321)213(354)299-167(112-123(11)12)226(367)287-154(76-87-175(254)319)203(344)272-136(29)200(341)275-152(74-61-108-268-244(263)264)222(363)312-197(135(28)41-8)241(382)297-166(199(260)340)111-122(9)10)306-181(325)120-271-202(343)171(116-140-119-270-142-64-43-42-63-141(140)142)304-233(374)189(127(19)20)307-242(383)198(138(31)317)315-231(372)170(115-126(17)18)300-214(355)157(79-90-178(257)322)288-227(368)168(113-124(13)14)301-228(369)169(114-125(15)16)298-210(351)147(68-47-55-102-249)277-208(349)148(69-48-56-103-250)292-236(377)192(130(23)36-3)311-221(362)153(75-62-109-269-245(265)266)276-201(342)137(30)273-234(375)191(129(22)35-2)308-225(366)164(86-97-187(336)337)289-229(370)172(117-180(259)324)302-215(356)160(82-93-183(328)329)294-238(379)194(132(25)38-5)309-219(360)150(71-50-58-105-252)280-205(346)144(65-44-52-99-246)278-211(352)155(77-88-176(255)320)283-207(348)146(67-46-54-101-248)282-232(373)174(121-316)305-217(358)162(84-95-185(332)333)296-240(381)196(134(27)40-7)314-224(365)163(85-96-186(334)335)286-212(353)159(81-92-182(326)327)293-237(378)193(131(24)37-4)310-220(361)151(72-51-59-106-253)281-230(371)173(118-188(338)339)303-216(357)161(83-94-184(330)331)295-239(380)195(133(26)39-6)313-223(364)158(80-91-179(258)323)285-206(347)145(66-45-53-100-247)279-218(359)165(98-110-384-33)290-204(345)143(274-139(32)318)73-60-107-267-243(261)262/h42-43,63-64,119,122-138,143-174,189-198,270,316-317H,34-41,44-62,65-118,120-121,246-253H2,1-33H3,(H2,254,319)(H2,255,320)(H2,256,321)(H2,257,322)(H2,258,323)(H2,259,324)(H2,260,340)(H,271,343)(H,272,344)(H,273,375)(H,274,318)(H,275,341)(H,276,342)(H,277,349)(H,278,352)(H,279,359)(H,280,346)(H,281,371)(H,282,373)(H,283,348)(H,284,350)(H,285,347)(H,286,353)(H,287,367)(H,288,368)(H,289,370)(H,290,345)(H,291,376)(H,292,377)(H,293,378)(H,294,379)(H,295,380)(H,296,381)(H,297,382)(H,298,351)(H,299,354)(H,300,355)(H,301,369)(H,302,356)(H,303,357)(H,304,374)(H,305,358)(H,306,325)(H,307,383)(H,308,366)(H,309,360)(H,310,361)(H,311,362)(H,312,363)(H,313,364)(H,314,365)(H,315,372)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H4,261,262,267)(H4,263,264,268)(H4,265,266,269)/t128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138+,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-,174-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-/m0/s1

InChIKey

JKMGRHOGGVIWOH-UUZGRJEVSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-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]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-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]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130747