Ac-arg-met-lys-gln-ile-glu-asp-lys-ile-glu-glu-ile-glu-ser-lys-ile-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

C₂₄₆H₄₂₉N₆₉O₆₇S

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]([C@@H](C)CC)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/C246H429N69O67S/c1-36-129(22)190(235(374)289-150(72-51-59-104-251)209(348)282-157(80-90-177(256)320)212(351)298-168(113-124(12)13)226(365)285-156(79-89-176(255)319)204(343)272-138(31)201(340)275-154(77-64-109-268-245(263)264)222(361)312-198(137(30)44-9)242(381)296-167(200(260)339)112-123(10)11)305-181(324)121-271-203(342)172(117-142-120-270-144-67-46-45-66-143(142)144)303-233(372)189(128(20)21)306-243(382)199(140(33)317)315-231(370)171(116-127(18)19)299-213(352)158(81-91-178(257)321)286-227(366)169(114-125(14)15)300-228(367)170(115-126(16)17)297-210(349)147(69-48-56-101-248)277-207(346)148(70-49-57-102-249)290-237(376)193(132(25)39-4)311-221(360)155(78-65-110-269-246(265)266)276-202(341)139(32)273-234(373)191(130(23)37-2)307-225(364)165(88-98-187(335)336)287-229(368)173(118-180(259)323)301-214(353)161(84-94-183(327)328)293-239(378)195(134(27)41-6)309-218(357)151(73-52-60-105-252)279-208(347)149(71-50-58-103-250)291-236(375)192(131(24)38-3)308-220(359)153(75-54-62-107-254)281-232(371)175(122-316)304-216(355)163(86-96-185(331)332)295-241(380)197(136(29)43-8)314-224(363)164(87-97-186(333)334)284-211(350)160(83-93-182(325)326)292-238(377)194(133(26)40-5)310-219(358)152(74-53-61-106-253)280-230(369)174(119-188(337)338)302-215(354)162(85-95-184(329)330)294-240(379)196(135(28)42-7)313-223(362)159(82-92-179(258)322)283-206(345)146(68-47-55-100-247)278-217(356)166(99-111-383-35)288-205(344)145(274-141(34)318)76-63-108-267-244(261)262/h45-46,66-67,120,123-140,145-175,189-199,270,316-317H,36-44,47-65,68-119,121-122,247-254H2,1-35H3,(H2,255,319)(H2,256,320)(H2,257,321)(H2,258,322)(H2,259,323)(H2,260,339)(H,271,342)(H,272,343)(H,273,373)(H,274,318)(H,275,340)(H,276,341)(H,277,346)(H,278,356)(H,279,347)(H,280,369)(H,281,371)(H,282,348)(H,283,345)(H,284,350)(H,285,365)(H,286,366)(H,287,368)(H,288,344)(H,289,374)(H,290,376)(H,291,375)(H,292,377)(H,293,378)(H,294,379)(H,295,380)(H,296,381)(H,297,349)(H,298,351)(H,299,352)(H,300,367)(H,301,353)(H,302,354)(H,303,372)(H,304,355)(H,305,324)(H,306,382)(H,307,364)(H,308,359)(H,309,357)(H,310,358)(H,311,360)(H,312,361)(H,313,362)(H,314,363)(H,315,370)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H4,261,262,267)(H4,263,264,268)(H4,265,266,269)/t129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140+,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-,175-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-/m0/s1

InChIKey

UEYSINDCZRGQEZ-DCJJRINASA-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,3S)-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]-3-methyl-1-oxopentan-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 16130749