Lacnac-c34

Structural Information

Molecular Formula

C₂₀₀H₃₀₆N₅₂O₇₄S

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)O)O)O)NC(=O)C)C(=O)N[C@@H](CC3=CC=C(C=C3)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](CC4=CN=CN4)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](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)C

InChI

InChI=1S/C200H306N52O74S/c1-19-91(12)154(194(320)232-117(48-59-151(280)281)172(298)225-116(47-58-150(278)279)176(302)245-133(81-253)191(317)230-111(42-53-141(205)265)173(299)240-129(74-143(207)267)183(309)228-110(41-52-140(204)264)169(295)221-108(39-50-138(202)262)167(293)223-112(43-54-146(270)271)170(296)219-106(33-26-27-62-201)166(292)239-128(73-142(206)266)184(310)229-113(44-55-147(272)273)171(297)222-109(40-51-139(203)263)168(294)224-114(45-56-148(274)275)174(300)234-121(66-88(6)7)179(305)233-120(164(209)290)65-87(4)5)250-188(314)122(67-89(8)9)235-192(318)134(82-254)246-182(308)127(72-100-80-212-86-216-100)243-195(321)156(93(14)21-3)251-189(315)123(68-90(10)11)236-193(319)135(83-255)247-197(323)157(94(15)258)252-190(316)124(69-97-35-37-101(261)38-36-97)237-186(312)131(76-145(269)248-198-158(218-96(17)260)160(287)163(137(85-257)324-198)326-199-162(289)161(288)159(286)136(84-256)325-199)241-185(311)130(75-144(208)268)244-196(322)155(92(13)20-2)249-178(304)118(49-60-152(282)283)227-165(291)107(34-28-63-213-200(210)211)220-187(313)132(77-153(284)285)242-181(307)126(71-99-79-215-105-32-25-23-30-103(99)105)238-175(301)115(46-57-149(276)277)226-177(303)119(61-64-327-18)231-180(306)125(217-95(16)259)70-98-78-214-104-31-24-22-29-102(98)104/h22-25,29-32,35-38,78-80,86-94,106-137,154-163,198-199,214-215,253-258,261,286-289H,19-21,26-28,33-34,39-77,81-85,201H2,1-18H3,(H2,202,262)(H2,203,263)(H2,204,264)(H2,205,265)(H2,206,266)(H2,207,267)(H2,208,268)(H2,209,290)(H,212,216)(H,217,259)(H,218,260)(H,219,296)(H,220,313)(H,221,295)(H,222,297)(H,223,293)(H,224,294)(H,225,298)(H,226,303)(H,227,291)(H,228,309)(H,229,310)(H,230,317)(H,231,306)(H,232,320)(H,233,305)(H,234,300)(H,235,318)(H,236,319)(H,237,312)(H,238,301)(H,239,292)(H,240,299)(H,241,311)(H,242,307)(H,243,321)(H,244,322)(H,245,302)(H,246,308)(H,247,323)(H,248,269)(H,249,304)(H,250,314)(H,251,315)(H,252,316)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H4,210,211,213)/t91-,92-,93-,94+,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-,136+,137+,154-,155-,156-,157-,158+,159-,160+,161-,162+,163+,198+,199-/m0/s1

InChIKey

VSCIHONUKBVSOP-NLCVBYSISA-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-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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 16133708