Glcnac-34

Structural Information

Molecular Formula

C₁₉₄H₂₉₆N₅₂O₆₉S

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)O)NC(=O)C)C(=O)N[C@@H](CC2=CC=C(C=C2)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](CC3=CN=CN3)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](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)C

InChI

InChI=1S/C194H296N52O69S/c1-19-90(12)152(189(311)226-116(48-59-149(273)274)167(289)219-115(47-58-148(271)272)171(293)239-132(81-247)186(308)224-110(42-53-139(199)258)168(290)234-128(74-141(201)260)178(300)222-109(41-52-138(198)257)164(286)215-107(39-50-136(196)255)162(284)217-111(43-54-144(263)264)165(287)213-105(33-26-27-62-195)161(283)233-127(73-140(200)259)179(301)223-112(44-55-145(265)266)166(288)216-108(40-51-137(197)256)163(285)218-113(45-56-146(267)268)169(291)228-120(66-87(6)7)174(296)227-119(159(203)281)65-86(4)5)244-183(305)121(67-88(8)9)229-187(309)133(82-248)240-177(299)126(72-99-80-206-85-210-99)237-190(312)154(92(14)21-3)245-184(306)122(68-89(10)11)230-188(310)134(83-249)241-192(314)155(93(15)251)246-185(307)123(69-96-35-37-100(254)38-36-96)231-181(303)130(76-143(262)242-193-156(212-95(17)253)158(280)157(279)135(84-250)315-193)235-180(302)129(75-142(202)261)238-191(313)153(91(13)20-2)243-173(295)117(49-60-150(275)276)221-160(282)106(34-28-63-207-194(204)205)214-182(304)131(77-151(277)278)236-176(298)125(71-98-79-209-104-32-25-23-30-102(98)104)232-170(292)114(46-57-147(269)270)220-172(294)118(61-64-316-18)225-175(297)124(211-94(16)252)70-97-78-208-103-31-24-22-29-101(97)103/h22-25,29-32,35-38,78-80,85-93,105-135,152-158,193,208-209,247-251,254,279-280H,19-21,26-28,33-34,39-77,81-84,195H2,1-18H3,(H2,196,255)(H2,197,256)(H2,198,257)(H2,199,258)(H2,200,259)(H2,201,260)(H2,202,261)(H2,203,281)(H,206,210)(H,211,252)(H,212,253)(H,213,287)(H,214,304)(H,215,286)(H,216,288)(H,217,284)(H,218,285)(H,219,289)(H,220,294)(H,221,282)(H,222,300)(H,223,301)(H,224,308)(H,225,297)(H,226,311)(H,227,296)(H,228,291)(H,229,309)(H,230,310)(H,231,303)(H,232,292)(H,233,283)(H,234,290)(H,235,302)(H,236,298)(H,237,312)(H,238,313)(H,239,293)(H,240,299)(H,241,314)(H,242,262)(H,243,295)(H,244,305)(H,245,306)(H,246,307)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H4,204,205,207)/t90-,91-,92-,93+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135+,152-,153-,154-,155-,156+,157+,158+,193+/m0/s1

InChIKey

JLRZRWQIKYYLII-CJTIFJEISA-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-4,5-dihydroxy-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 16133707