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-asp-ile-lys-gln-leu-gln-ala-arg-ile-leu-nh2

Structural Information

Molecular Formula

C₂₄₇H₄₂₈N₇₀O₇₀S

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)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)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)[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/C247H428N70O70S/c1-34-128(21)191(236(379)274-137(30)202(345)277-153(75-62-109-271-247(267)268)221(364)312-192(129(22)35-2)237(380)292-148(69-48-56-103-252)208(351)278-147(68-47-55-102-251)210(353)299-169(114-125(15)16)228(371)302-168(113-124(13)14)227(370)289-157(79-90-179(259)324)214(357)301-170(115-126(17)18)232(375)317-199(138(31)319)244(387)308-190(127(19)20)235(378)306-171(116-140-120-272-142-64-43-42-63-141(140)142)229(372)305-174(119-189(341)342)233(376)316-197(134(27)40-7)238(381)293-149(70-49-57-104-253)209(352)285-156(78-89-178(258)323)213(356)300-167(112-123(11)12)226(369)288-154(76-87-176(256)321)203(346)273-136(29)201(344)276-152(74-61-108-270-246(265)266)222(365)313-198(135(28)41-8)243(386)298-166(200(262)343)111-122(9)10)309-225(368)164(86-97-187(337)338)290-230(373)172(117-181(261)326)303-215(358)160(82-93-183(329)330)295-240(383)194(131(24)37-4)310-219(362)150(71-50-58-105-254)281-205(348)144(65-44-52-99-248)279-211(354)155(77-88-177(257)322)284-207(350)146(67-46-54-101-250)283-234(377)175(121-318)307-217(360)162(84-95-185(333)334)297-242(385)196(133(26)39-6)315-224(367)163(85-96-186(335)336)287-212(355)159(81-92-182(327)328)294-239(382)193(130(23)36-3)311-220(363)151(72-51-59-106-255)282-231(374)173(118-188(339)340)304-216(359)161(83-94-184(331)332)296-241(384)195(132(25)38-5)314-223(366)158(80-91-180(260)325)286-206(349)145(66-45-53-100-249)280-218(361)165(98-110-388-33)291-204(347)143(275-139(32)320)73-60-107-269-245(263)264/h42-43,63-64,120,122-138,143-175,190-199,272,318-319H,34-41,44-62,65-119,121,248-255H2,1-33H3,(H2,256,321)(H2,257,322)(H2,258,323)(H2,259,324)(H2,260,325)(H2,261,326)(H2,262,343)(H,273,346)(H,274,379)(H,275,320)(H,276,344)(H,277,345)(H,278,351)(H,279,354)(H,280,361)(H,281,348)(H,282,374)(H,283,377)(H,284,350)(H,285,352)(H,286,349)(H,287,355)(H,288,369)(H,289,370)(H,290,373)(H,291,347)(H,292,380)(H,293,381)(H,294,382)(H,295,383)(H,296,384)(H,297,385)(H,298,386)(H,299,353)(H,300,356)(H,301,357)(H,302,371)(H,303,358)(H,304,359)(H,305,372)(H,306,378)(H,307,360)(H,308,387)(H,309,368)(H,310,362)(H,311,363)(H,312,364)(H,313,365)(H,314,366)(H,315,367)(H,316,376)(H,317,375)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H4,263,264,269)(H4,265,266,270)(H4,267,268,271)/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-,175-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-/m0/s1

InChIKey

MJPVVJWFVUPUQL-FFVAAPIFSA-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-[[(2S)-1-[[(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]-3-carboxy-1-oxopropan-2-yl]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 16130760