T704

Structural Information

Molecular Formula

C₁₉₈H₂₉₈N₅₀O₆₄

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)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CN=CN7)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](CC8=CC=C(C=C8)O)NC(=O)C

InChI

InChI=1S/C198H298N50O64/c1-20-99(15)160(245-187(301)131(74-97(11)12)232-192(306)143(90-251)243-182(296)136(80-108-87-209-92-212-108)240-196(310)161(100(16)21-2)246-188(302)132(75-98(13)14)233-193(307)144(91-252)244-197(311)162(102(18)253)247-189(303)133(214-103(19)254)77-105-43-45-109(255)46-44-105)195(309)225-124(56-66-158(273)274)171(285)220-123(55-65-157(271)272)175(289)242-142(89-250)190(304)224-118(50-60-149(204)259)172(286)237-138(82-151(206)261)183(297)221-117(49-59-148(203)258)168(282)216-115(47-57-146(201)256)166(280)218-119(51-61-153(263)264)169(283)215-114(40-29-31-67-199)165(279)236-137(81-150(205)260)184(298)223-120(52-62-154(265)266)170(284)217-116(48-58-147(202)257)167(281)219-121(53-63-155(267)268)173(287)228-128(71-94(5)6)177(291)230-127(70-93(3)4)176(290)222-122(54-64-156(269)270)174(288)229-129(72-95(7)8)179(293)239-140(84-159(275)276)186(300)226-125(41-30-32-68-200)198(312)248-69-33-42-145(248)194(308)213-101(17)164(278)241-141(88-249)191(305)231-130(73-96(9)10)178(292)234-135(79-107-86-211-113-39-28-26-37-111(107)113)181(295)238-139(83-152(207)262)185(299)235-134(78-106-85-210-112-38-27-25-36-110(106)112)180(294)227-126(163(208)277)76-104-34-23-22-24-35-104/h22-28,34-39,43-46,85-87,92-102,114-145,160-162,210-211,249-253,255H,20-21,29-33,40-42,47-84,88-91,199-200H2,1-19H3,(H2,201,256)(H2,202,257)(H2,203,258)(H2,204,259)(H2,205,260)(H2,206,261)(H2,207,262)(H2,208,277)(H,209,212)(H,213,308)(H,214,254)(H,215,283)(H,216,282)(H,217,284)(H,218,280)(H,219,281)(H,220,285)(H,221,297)(H,222,290)(H,223,298)(H,224,304)(H,225,309)(H,226,300)(H,227,294)(H,228,287)(H,229,288)(H,230,291)(H,231,305)(H,232,306)(H,233,307)(H,234,292)(H,235,299)(H,236,279)(H,237,286)(H,238,295)(H,239,293)(H,240,310)(H,241,278)(H,242,289)(H,243,296)(H,244,311)(H,245,301)(H,246,302)(H,247,303)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)/t99-,100-,101-,102+,114-,115-,116-,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-,160-,161-,162-/m0/s1

InChIKey

PHBHRFNKCOFQQL-YUBYBQQQSA-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-acetamido-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-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[(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]carbamoyl]pyrrolidin-1-yl]-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]-5-oxopentanoic acid

Related CIDs

• CID 16130101