Thymopoietin iii

Structural Information

Molecular Formula

C₂₅₅H₄₁₆N₆₆O₇₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]7CCCN7)O

InChI

InChI=1S/C255H416N66O77/c1-122(2)101-165(225(369)282-150(56-39-44-92-257)213(357)293-164(253(397)398)62-50-98-272-255(267)268)294-207(351)138(31)277-248(392)203(139(32)324)317-235(379)171(107-128(13)14)301-232(376)176(113-145-117-269-121-274-145)304-219(363)157(74-83-186(262)330)288-227(371)167(103-124(5)6)300-231(375)174(111-143-65-69-146(327)70-66-143)303-229(373)169(105-126(9)10)297-222(366)162(80-89-195(344)345)292-244(388)199(132(21)22)314-237(381)175(112-144-67-71-147(328)72-68-144)307-246(390)200(133(23)24)312-224(368)163(81-90-196(346)347)287-210(354)149(55-38-43-91-256)279-212(356)154(61-49-97-271-254(265)266)281-217(361)156(73-82-185(261)329)285-216(360)155(75-84-190(334)335)278-189(333)118-273-206(350)136(29)275-241(385)183-63-51-99-320(183)251(395)179(109-130(17)18)309-250(394)205(141(34)326)319-247(391)202(135(27)28)315-238(382)178(115-188(264)332)305-233(377)177(114-187(263)331)295-208(352)137(30)276-243(387)198(131(19)20)313-234(378)170(106-127(11)12)298-220(364)160(78-87-193(340)341)290-239(383)181(119-322)310-215(359)152(58-41-46-94-259)283-226(370)166(102-123(3)4)296-214(358)151(57-40-45-93-258)280-218(362)158(76-85-191(336)337)286-211(355)153(59-42-47-95-260)291-249(393)204(140(33)325)318-236(380)172(108-129(15)16)306-245(389)201(134(25)26)316-240(384)182(120-323)311-242(386)184-64-52-100-321(184)252(396)180(116-197(348)349)308-223(367)161(79-88-194(342)343)289-228(372)168(104-125(7)8)299-230(374)173(110-142-53-36-35-37-54-142)302-221(365)159(77-86-192(338)339)284-209(353)148-60-48-96-270-148/h35-37,53-54,65-72,117,121-141,148-184,198-205,270,322-328H,38-52,55-64,73-116,118-120,256-260H2,1-34H3,(H2,261,329)(H2,262,330)(H2,263,331)(H2,264,332)(H,269,274)(H,273,350)(H,275,385)(H,276,387)(H,277,392)(H,278,333)(H,279,356)(H,280,362)(H,281,361)(H,282,369)(H,283,370)(H,284,353)(H,285,360)(H,286,355)(H,287,354)(H,288,371)(H,289,372)(H,290,383)(H,291,393)(H,292,388)(H,293,357)(H,294,351)(H,295,352)(H,296,358)(H,297,366)(H,298,364)(H,299,374)(H,300,375)(H,301,376)(H,302,365)(H,303,373)(H,304,363)(H,305,377)(H,306,389)(H,307,390)(H,308,367)(H,309,394)(H,310,359)(H,311,386)(H,312,368)(H,313,378)(H,314,381)(H,315,382)(H,316,384)(H,317,379)(H,318,380)(H,319,391)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,397,398)(H4,265,266,271)(H4,267,268,272)/t136-,137-,138-,139+,140+,141+,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-,176-,177-,178-,179-,180-,181-,182-,183-,184-,198-,199-,200-,201-,202-,203-,204-,205-/m0/s1

InChIKey

ABNUIHVJBBDMOA-VSTQVDAASA-N

Compound name

(4S)-4-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-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]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16132343