Toxin f7

Structural Information

Molecular Formula

C₂₇₆H₄₄₆N₈₈O₉₀S₁₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CS)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N7CCC[C@H]7C(=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](CC8=CC=C(C=C8)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CN=CN9)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C276H446N88O90S10/c1-22-131(12)210(354-216(398)132(13)310-221(403)152(46-32-78-299-273(288)289)320-246(428)178(114-368)344-262(444)213(136(17)373)358-265(447)215(138(19)375)359-264(446)214(137(18)374)356-244(426)165(95-142-104-296-124-308-142)330-247(429)176(112-366)342-235(417)164(93-140-57-63-145(377)64-58-140)329-249(431)182(118-457)349-230(412)158(71-87-463-20)325-257(439)207(285)133(14)370)260(442)337-162(91-128(6)7)243(425)355-211(134(15)371)261(443)338-169(100-196(284)382)239(421)346-181(117-456)220(402)306-107-198(384)312-156(67-69-202(388)389)229(411)331-168(99-195(283)381)238(420)343-177(113-367)248(430)350-184(120-459)250(432)328-163(92-139-55-61-144(376)62-56-139)234(416)319-153(47-33-79-300-274(290)291)223(405)316-148(41-23-27-73-277)226(408)341-175(111-365)245(427)321-154(48-34-80-301-275(292)293)224(406)317-155(49-35-81-302-276(294)295)225(407)339-173(96-143-105-297-125-309-143)266(448)363-85-39-53-191(363)270(452)362-84-38-52-190(362)255(437)324-150(43-25-29-75-279)222(404)323-159(72-88-464-21)232(414)353-209(130(10)11)259(441)336-160(89-126(2)3)218(400)304-106-197(383)311-147(45-31-77-298-272(286)287)217(399)303-108-200(386)314-180(116-455)219(401)305-109-201(387)315-187(123-462)268(450)364-86-40-54-192(364)269(451)361-83-36-50-188(361)254(436)307-110-199(385)313-170(101-204(392)393)240(422)334-171(102-205(394)395)242(424)332-166(97-193(281)379)236(418)327-161(90-127(4)5)233(415)322-157(68-70-203(390)391)231(413)352-208(129(8)9)258(440)326-151(44-26-30-76-280)228(410)348-185(121-460)252(434)351-186(122-461)253(435)357-212(135(16)372)263(445)345-179(115-369)267(449)360-82-37-51-189(360)256(438)335-172(103-206(396)397)241(423)318-149(42-24-28-74-278)227(409)347-183(119-458)251(433)333-167(98-194(282)380)237(419)340-174(271(453)454)94-141-59-65-146(378)66-60-141/h55-66,104-105,124-138,147-192,207-215,365-378,455-462H,22-54,67-103,106-123,277-280,285H2,1-21H3,(H2,281,379)(H2,282,380)(H2,283,381)(H2,284,382)(H,296,308)(H,297,309)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,436)(H,310,403)(H,311,383)(H,312,384)(H,313,385)(H,314,386)(H,315,387)(H,316,405)(H,317,406)(H,318,423)(H,319,416)(H,320,428)(H,321,427)(H,322,415)(H,323,404)(H,324,437)(H,325,439)(H,326,440)(H,327,418)(H,328,432)(H,329,431)(H,330,429)(H,331,411)(H,332,424)(H,333,433)(H,334,422)(H,335,438)(H,336,441)(H,337,442)(H,338,443)(H,339,407)(H,340,419)(H,341,408)(H,342,417)(H,343,420)(H,344,444)(H,345,445)(H,346,421)(H,347,409)(H,348,410)(H,349,412)(H,350,430)(H,351,434)(H,352,413)(H,353,414)(H,354,398)(H,355,425)(H,356,426)(H,357,435)(H,358,447)(H,359,446)(H,388,389)(H,390,391)(H,392,393)(H,394,395)(H,396,397)(H,453,454)(H4,286,287,298)(H4,288,289,299)(H4,290,291,300)(H4,292,293,301)(H4,294,295,302)/t131-,132-,133+,134+,135+,136+,137+,138+,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-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,207-,208-,209-,210-,211-,212-,213-,214-,215-/m0/s1

InChIKey

MJJAZTXUQMIMKK-VYTSXJHUSA-N

Compound name

(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2R)-1-[[2-[[(2R)-1-[(2S)-2-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-4-amino-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 123131949