.alpha.-gal-t20

Structural Information

Molecular Formula

C₂₃₇H₃₅₄N₅₄O₈₅S

SMILES

CC[C@H](C)[C@@H](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[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CSC1CC(=O)N(C1=O)CCC(=O)NCCOCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)NCC(=O)C

InChI

InChI=1S/C237H354N54O85S/c1-20-114(15)185(288-223(358)149(81-112(11)12)273-228(363)162(101-294)286-218(353)155(88-124-98-248-107-254-124)283-232(367)186(115(16)21-2)289-224(359)150(82-113(13)14)274-229(364)163(102-295)287-233(368)187(118(19)300)290-225(360)151(84-120-45-47-125(301)48-46-120)275-230(365)164(250-94-116(17)299)106-377-168-93-177(310)291(234(168)369)73-69-176(309)249-72-74-370-75-76-371-235-193(330)191(328)195(167(105-298)374-235)375-237-194(331)196(189(326)166(104-297)373-237)376-236-192(329)190(327)188(325)165(103-296)372-236)231(366)267-143(58-68-183(321)322)206(341)262-142(57-67-182(319)320)210(345)285-161(100-293)226(361)266-137(52-62-172(243)305)207(342)280-157(90-174(245)307)219(354)263-136(51-61-171(242)304)203(338)258-134(49-59-169(240)302)201(336)260-138(53-63-178(311)312)204(339)256-132(43-31-33-70-238)200(335)279-156(89-173(244)306)220(355)265-139(54-64-179(313)314)205(340)259-135(50-60-170(241)303)202(337)261-140(55-65-180(315)316)208(343)269-146(78-109(5)6)213(348)271-145(77-108(3)4)212(347)264-141(56-66-181(317)318)209(344)270-147(79-110(7)8)215(350)282-159(92-184(323)324)222(357)257-133(44-32-34-71-239)199(334)276-152(85-121-95-251-129-40-28-25-37-126(121)129)211(346)255-117(18)198(333)284-160(99-292)227(362)272-148(80-111(9)10)214(349)277-154(87-123-97-253-131-42-30-27-39-128(123)131)217(352)281-158(91-175(246)308)221(356)278-153(86-122-96-252-130-41-29-26-38-127(122)130)216(351)268-144(197(247)332)83-119-35-23-22-24-36-119/h22-30,35-42,45-48,95-98,107-115,117-118,132-168,185-196,235-237,250-253,292-298,300-301,325-331H,20-21,31-34,43-44,49-94,99-106,238-239H2,1-19H3,(H2,240,302)(H2,241,303)(H2,242,304)(H2,243,305)(H2,244,306)(H2,245,307)(H2,246,308)(H2,247,332)(H,248,254)(H,249,309)(H,255,346)(H,256,339)(H,257,357)(H,258,338)(H,259,340)(H,260,336)(H,261,337)(H,262,341)(H,263,354)(H,264,347)(H,265,355)(H,266,361)(H,267,366)(H,268,351)(H,269,343)(H,270,344)(H,271,348)(H,272,362)(H,273,363)(H,274,364)(H,275,365)(H,276,334)(H,277,349)(H,278,356)(H,279,335)(H,280,342)(H,281,352)(H,282,350)(H,283,367)(H,284,333)(H,285,345)(H,286,353)(H,287,368)(H,288,358)(H,289,359)(H,290,360)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)/t114-,115-,117-,118+,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-,158-,159-,160-,161-,162-,163-,164-,165+,166+,167+,168?,185-,186-,187-,188-,189-,190-,191+,192+,193+,194+,195+,196-,235+,236+,237-/m0/s1

InChIKey

VEDQHCUIIOVRFU-YWYPRIECSA-N

Compound name

(4S)-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]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]-4-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-3-[1-[3-[2-[2-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-(2-oxopropylamino)propanoyl]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]butanoyl]amino]butanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133673