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

Structural Information

Molecular Formula

C₂₄₄H₄₂₁N₆₉O₆₇S

SMILES

CC[C@H](C)[C@@H](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](CCCCN)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)N3CCC[C@H]3C(=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)[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]4CCCN4C(=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/C244H421N69O67S/c1-32-129(20)190(233(372)271-137(28)200(339)274-152(74-59-108-267-244(263)264)218(357)307-191(130(21)33-2)234(373)288-148(68-45-53-102-249)207(346)275-145(65-42-50-99-246)208(347)295-168(115-126(14)15)225(364)298-167(114-125(12)13)224(363)283-155(79-89-178(255)319)211(350)297-169(116-127(16)17)228(367)311-197(138(29)315)240(379)303-189(128(18)19)232(371)301-170(117-140-120-268-142-63-40-39-62-141(140)142)201(340)269-121-181(322)312-109-60-75-174(312)230(369)286-147(67-44-52-101-248)206(345)279-154(78-88-177(254)318)210(349)296-166(113-124(10)11)223(362)282-153(77-87-176(253)317)202(341)270-136(27)199(338)273-151(73-58-107-266-243(261)262)219(358)308-196(135(26)38-7)239(378)294-165(198(258)337)112-123(8)9)304-222(361)162(86-96-187(333)334)284-226(365)171(118-180(257)321)299-212(351)158(82-92-183(325)326)290-236(375)193(132(23)35-4)305-216(355)149(69-46-54-103-250)277-205(344)146(66-43-51-100-247)287-231(370)175-76-61-110-313(175)241(380)164(71-48-56-105-252)293-229(368)173(122-314)302-214(353)160(84-94-185(329)330)292-238(377)195(134(25)37-6)310-221(360)161(85-95-186(331)332)281-209(348)157(81-91-182(323)324)289-235(374)192(131(22)34-3)306-217(356)150(70-47-55-104-251)278-227(366)172(119-188(335)336)300-213(352)159(83-93-184(327)328)291-237(376)194(133(24)36-5)309-220(359)156(80-90-179(256)320)280-204(343)144(64-41-49-98-245)276-215(354)163(97-111-381-31)285-203(342)143(272-139(30)316)72-57-106-265-242(259)260/h39-40,62-63,120,123-138,143-175,189-197,268,314-315H,32-38,41-61,64-119,121-122,245-252H2,1-31H3,(H2,253,317)(H2,254,318)(H2,255,319)(H2,256,320)(H2,257,321)(H2,258,337)(H,269,340)(H,270,341)(H,271,372)(H,272,316)(H,273,338)(H,274,339)(H,275,346)(H,276,354)(H,277,344)(H,278,366)(H,279,345)(H,280,343)(H,281,348)(H,282,362)(H,283,363)(H,284,365)(H,285,342)(H,286,369)(H,287,370)(H,288,373)(H,289,374)(H,290,375)(H,291,376)(H,292,377)(H,293,368)(H,294,378)(H,295,347)(H,296,349)(H,297,350)(H,298,364)(H,299,351)(H,300,352)(H,301,371)(H,302,353)(H,303,379)(H,304,361)(H,305,355)(H,306,356)(H,307,357)(H,308,358)(H,309,359)(H,310,360)(H,311,367)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H4,259,260,265)(H4,261,262,266)(H4,263,264,267)/t129-,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-,175-,189-,190-,191-,192-,193-,194-,195-,196-,197-/m0/s1

InChIKey

CDWIVGNVGYGZPA-KWBNQUAYSA-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)-2-[[(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)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-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]carbamoyl]pyrrolidin-1-yl]-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 16130759