Ac-ile-lys-lys-glu-ile-glu-ala-ile-lys-lys-glu-gln-glu-ala-ile-lys-lys-lys-ile-glu-ala-ile-glu-lys-glu--ieaqqhllqltvwgikqlqaril-nh2

Structural Information

Molecular Formula

C₂₅₉H₄₄₄N₇₀O₇₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)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]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)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](CCCCN)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]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)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](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)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](CC2=CNC3=CC=CC=C32)C(=O)NCC(=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

InChI

InChI=1S/C259H444N70O72/c1-38-135(22)202(288-150(37)331)249(392)305-159(74-53-62-112-264)228(371)293-157(72-51-60-110-262)226(369)301-177(92-106-199(351)352)241(384)328-209(142(29)45-8)256(399)311-174(89-103-196(345)346)223(366)286-147(34)216(359)323-205(138(25)41-4)252(395)308-161(76-55-64-114-266)230(373)292-156(71-50-59-109-261)225(368)300-175(90-104-197(347)348)234(377)297-167(82-96-188(271)334)233(376)299-171(86-100-193(339)340)220(363)285-146(33)215(358)322-204(137(24)40-3)251(394)307-160(75-54-63-113-265)229(372)291-155(70-49-58-108-260)224(367)295-163(78-57-66-116-268)239(382)325-207(140(27)43-6)254(397)310-173(88-102-195(343)344)222(365)287-148(35)217(360)324-206(139(26)42-5)253(396)312-176(91-105-198(349)350)235(378)294-158(73-52-61-111-263)227(370)302-178(93-107-200(353)354)242(385)327-208(141(28)44-7)255(398)309-172(87-101-194(341)342)221(364)284-145(32)214(357)290-166(81-95-187(270)333)232(375)298-169(84-98-190(273)336)238(381)318-185(124-152-126-278-128-282-152)246(389)317-182(121-132(16)17)245(388)316-181(120-131(14)15)244(387)304-170(85-99-191(274)337)237(380)315-183(122-133(18)19)247(390)329-211(149(36)330)258(401)321-201(134(20)21)248(391)319-184(123-151-125-280-154-69-48-47-68-153(151)154)218(361)281-127-192(338)320-203(136(23)39-2)250(393)306-162(77-56-65-115-267)231(374)296-168(83-97-189(272)335)236(379)314-180(119-130(12)13)243(386)303-165(80-94-186(269)332)219(362)283-144(31)213(356)289-164(79-67-117-279-259(276)277)240(383)326-210(143(30)46-9)257(400)313-179(212(275)355)118-129(10)11/h47-48,68-69,125-126,128-149,155-185,201-211,280,330H,38-46,49-67,70-124,127,260-268H2,1-37H3,(H2,269,332)(H2,270,333)(H2,271,334)(H2,272,335)(H2,273,336)(H2,274,337)(H2,275,355)(H,278,282)(H,281,361)(H,283,362)(H,284,364)(H,285,363)(H,286,366)(H,287,365)(H,288,331)(H,289,356)(H,290,357)(H,291,372)(H,292,373)(H,293,371)(H,294,378)(H,295,367)(H,296,374)(H,297,377)(H,298,375)(H,299,376)(H,300,368)(H,301,369)(H,302,370)(H,303,386)(H,304,387)(H,305,392)(H,306,393)(H,307,394)(H,308,395)(H,309,398)(H,310,397)(H,311,399)(H,312,396)(H,313,400)(H,314,379)(H,315,380)(H,316,388)(H,317,389)(H,318,381)(H,319,391)(H,320,338)(H,321,401)(H,322,358)(H,323,359)(H,324,360)(H,325,382)(H,326,383)(H,327,385)(H,328,384)(H,329,390)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H4,276,277,279)/t135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149+,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-/m0/s1

InChIKey

AVZWFJIALDVZFX-GYBCHNEZSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-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]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-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-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130755