M9-c34

Structural Information

Molecular Formula

C₂₅₆H₃₉₉N₅₃O₁₁₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)NC(=O)C)O)NC(=O)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)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](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C

InChI

InChI=1S/C256H399N53O119S/c1-20-101(12)174(241(404)289-128(49-60-171(345)346)219(382)282-127(48-59-170(343)344)223(386)302-144(82-310)238(401)287-122(43-54-161(261)330)220(383)297-140(75-163(263)332)230(393)285-121(42-53-160(260)329)216(379)278-119(40-51-158(258)327)214(377)280-123(44-55-166(335)336)217(380)276-117(34-27-28-63-257)213(376)296-139(74-162(262)331)231(394)286-124(45-56-167(337)338)218(381)279-120(41-52-159(259)328)215(378)281-125(46-57-168(339)340)221(384)291-132(67-98(6)7)226(389)290-131(211(265)374)66-97(4)5)307-235(398)133(68-99(8)9)292-239(402)145(83-311)303-229(392)138(73-111-81-268-96-272-111)300-242(405)176(103(14)22-3)308-236(399)134(69-100(10)11)293-240(403)146(84-312)304-244(407)177(104(15)322)309-237(400)135(70-108-36-38-112(326)39-37-108)294-233(396)142(298-232(395)141(76-164(264)333)301-243(406)175(102(13)21-2)306-225(388)129(50-61-172(347)348)284-212(375)118(35-29-64-269-256(266)267)277-234(397)143(78-173(349)350)299-228(391)137(72-110-80-271-116-33-26-24-31-114(110)116)295-222(385)126(47-58-169(341)342)283-224(387)130(62-65-429-19)288-227(390)136(273-105(16)323)71-109-79-270-115-32-25-23-30-113(109)115)77-165(334)305-245-178(274-106(17)324)189(360)203(154(92-320)410-245)421-246-179(275-107(18)325)190(361)204(155(93-321)418-246)422-251-202(373)206(424-254-210(197(368)186(357)152(90-318)416-254)428-255-209(196(367)185(356)153(91-319)417-255)427-250-200(371)193(364)182(353)149(87-315)413-250)188(359)157(420-251)94-408-247-201(372)205(423-253-208(195(366)184(355)151(89-317)415-253)426-249-199(370)192(363)181(352)148(86-314)412-249)187(358)156(419-247)95-409-252-207(194(365)183(354)150(88-316)414-252)425-248-198(369)191(362)180(351)147(85-313)411-248/h23-26,30-33,36-39,79-81,96-104,117-157,174-210,245-255,270-271,310-322,326,351-373H,20-22,27-29,34-35,40-78,82-95,257H2,1-19H3,(H2,258,327)(H2,259,328)(H2,260,329)(H2,261,330)(H2,262,331)(H2,263,332)(H2,264,333)(H2,265,374)(H,268,272)(H,273,323)(H,274,324)(H,275,325)(H,276,380)(H,277,397)(H,278,379)(H,279,381)(H,280,377)(H,281,378)(H,282,382)(H,283,387)(H,284,375)(H,285,393)(H,286,394)(H,287,401)(H,288,390)(H,289,404)(H,290,389)(H,291,384)(H,292,402)(H,293,403)(H,294,396)(H,295,385)(H,296,376)(H,297,383)(H,298,395)(H,299,391)(H,300,405)(H,301,406)(H,302,386)(H,303,392)(H,304,407)(H,305,334)(H,306,388)(H,307,398)(H,308,399)(H,309,400)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H4,266,267,269)/t101-,102-,103-,104+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,174-,175-,176-,177-,178+,179+,180+,181+,182+,183+,184+,185+,186+,187+,188+,189+,190+,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203+,204+,205-,206-,207-,208-,209-,210-,245+,246-,247-,248+,249+,250+,251-,252-,253+,254+,255+/m0/s1

InChIKey

VCQGKGZPUJYUIZ-UIRXREAYSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133709