T649

Structural Information

Molecular Formula

C₁₉₇H₃₀₁N₅₃O₆₈S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)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](CC2=CN=CN2)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[C@@H](CCC(=O)O)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](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)C

InChI

InChI=1S/C197H301N53O68S/c1-20-94(14)157(193(315)230-120(50-62-154(277)278)169(291)222-119(49-61-153(275)276)174(296)244-137(85-251)190(312)228-113(43-55-143(202)260)171(293)239-133(78-145(204)262)182(304)225-112(42-54-142(201)259)166(288)218-110(40-52-140(199)257)164(286)220-114(44-56-148(265)266)167(289)216-108(34-27-28-65-198)163(285)238-132(77-144(203)261)183(305)227-115(45-57-149(267)268)168(290)219-111(41-53-141(200)258)165(287)221-117(47-59-151(271)272)172(294)232-125(70-91(8)9)178(300)233-124(69-90(6)7)177(299)226-116(46-58-150(269)270)170(292)231-123(161(207)283)68-89(4)5)248-187(309)126(71-92(10)11)234-191(313)138(86-252)245-181(303)131(76-102-84-210-88-214-102)242-194(316)159(96(16)22-3)249-188(310)127(72-93(12)13)235-192(314)139(87-253)246-196(318)160(97(17)254)250-189(311)128(73-99-36-38-103(256)39-37-99)236-184(306)134(79-146(205)263)240-185(307)135(80-147(206)264)243-195(317)158(95(15)21-2)247-176(298)121(51-63-155(279)280)224-162(284)109(35-29-66-211-197(208)209)217-186(308)136(81-156(281)282)241-180(302)130(75-101-83-213-107-33-26-24-31-105(101)107)237-173(295)118(48-60-152(273)274)223-175(297)122(64-67-319-19)229-179(301)129(215-98(18)255)74-100-82-212-106-32-25-23-30-104(100)106/h23-26,30-33,36-39,82-84,88-97,108-139,157-160,212-213,251-254,256H,20-22,27-29,34-35,40-81,85-87,198H2,1-19H3,(H2,199,257)(H2,200,258)(H2,201,259)(H2,202,260)(H2,203,261)(H2,204,262)(H2,205,263)(H2,206,264)(H2,207,283)(H,210,214)(H,215,255)(H,216,289)(H,217,308)(H,218,288)(H,219,290)(H,220,286)(H,221,287)(H,222,291)(H,223,297)(H,224,284)(H,225,304)(H,226,299)(H,227,305)(H,228,312)(H,229,301)(H,230,315)(H,231,292)(H,232,294)(H,233,300)(H,234,313)(H,235,314)(H,236,306)(H,237,295)(H,238,285)(H,239,293)(H,240,307)(H,241,302)(H,242,316)(H,243,317)(H,244,296)(H,245,303)(H,246,318)(H,247,298)(H,248,309)(H,249,310)(H,250,311)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H4,208,209,211)/t94-,95-,96-,97+,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-,138-,139-,157-,158-,159-,160-/m0/s1

InChIKey

FIECIJJJPPLDJA-JPFWIVAISA-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)-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-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-[[(2S)-1-[[(2S)-1-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 16130182