Toxin ta2

Structural Information

Molecular Formula

C₂₇₆H₄₆₀N₈₂O₈₄S₁₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C276H460N82O84S10/c1-29-137(16)210(263(431)331-175(108-151-112-294-130-302-151)240(408)339-187(124-446)254(422)340-185(122-444)249(417)317-163(61-47-95-296-275(289)290)229(397)333-180(117-360)247(415)330-177(110-205(383)384)242(410)314-160(57-36-43-91-281)230(398)338-186(123-445)251(419)329-176(109-197(286)371)241(409)324-170(273(441)442)79-84-204(381)382)348-219(387)143(22)306-259(427)206(133(8)9)345-243(411)171(103-131(4)5)325-234(402)168(86-102-452-28)321-233(401)166(77-82-202(377)378)318-225(393)157(54-33-40-88-278)316-245(413)182(119-362)337-258(426)194-65-51-99-357(194)271(439)191(128-450)309-200(374)115-300-223(391)184(121-443)308-199(373)114-299-222(390)155(60-46-94-295-274(287)288)307-198(372)113-298-217(385)140(19)305-260(428)207(134(10)11)347-262(430)209(136(14)15)344-218(386)142(21)304-255(423)192-63-49-98-356(192)270(438)178(104-132(6)7)332-227(395)158(55-34-41-89-279)310-226(394)164(62-48-96-297-276(291)292)322-261(429)208(135(12)13)346-248(416)183(120-363)334-228(396)159(56-35-42-90-280)311-224(392)156(53-32-39-87-277)313-237(405)172(105-148-67-71-152(368)72-68-148)326-253(421)190(127-449)343-266(434)213(144(23)364)352-235(403)161(58-37-44-92-282)312-231(399)165(76-81-201(375)376)319-232(400)167(78-83-203(379)380)320-250(418)188(125-447)342-267(435)214(145(24)365)353-265(433)212(139(18)31-3)350-268(436)215(146(25)366)351-220(388)141(20)303-244(412)179(116-359)336-257(425)193-64-50-97-355(193)269(437)169(75-80-196(285)370)323-256(424)195-66-52-100-358(195)272(440)216(147(26)367)354-236(404)162(59-38-45-93-283)315-239(407)174(107-150-111-293-129-301-150)328-246(414)181(118-361)335-238(406)173(106-149-69-73-153(369)74-70-149)327-252(420)189(126-448)341-264(432)211(138(17)30-2)349-221(389)154(284)85-101-451-27/h67-74,111-112,129-147,154-195,206-216,359-369,443-450H,29-66,75-110,113-128,277-284H2,1-28H3,(H2,285,370)(H2,286,371)(H,293,301)(H,294,302)(H,298,385)(H,299,390)(H,300,391)(H,303,412)(H,304,423)(H,305,428)(H,306,427)(H,307,372)(H,308,373)(H,309,374)(H,310,394)(H,311,392)(H,312,399)(H,313,405)(H,314,410)(H,315,407)(H,316,413)(H,317,417)(H,318,393)(H,319,400)(H,320,418)(H,321,401)(H,322,429)(H,323,424)(H,324,409)(H,325,402)(H,326,421)(H,327,420)(H,328,414)(H,329,419)(H,330,415)(H,331,431)(H,332,395)(H,333,397)(H,334,396)(H,335,406)(H,336,425)(H,337,426)(H,338,398)(H,339,408)(H,340,422)(H,341,432)(H,342,435)(H,343,434)(H,344,386)(H,345,411)(H,346,416)(H,347,430)(H,348,387)(H,349,389)(H,350,436)(H,351,388)(H,352,403)(H,353,433)(H,354,404)(H,375,376)(H,377,378)(H,379,380)(H,381,382)(H,383,384)(H,441,442)(H4,287,288,295)(H4,289,290,296)(H4,291,292,297)/t137-,138-,139-,140-,141-,142-,143-,144+,145+,146+,147+,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-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-/m0/s1

InChIKey

SMIIBFCQSAYCOH-OFCTUCCVSA-N

Compound name

(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[2-[[(2R)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid

Related CIDs

• CID 85470755