T-651

Structural Information

Molecular Formula

C₁₉₅H₂₉₉N₅₃O₆₇S₂

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)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@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)C

InChI

InChI=1S/C195H299N53O67S2/c1-20-92(12)154(190(311)227-118(49-60-151(274)275)167(288)220-117(48-59-150(272)273)171(292)241-135(84-249)187(308)225-112(43-54-141(200)259)168(289)235-131(77-143(202)261)179(300)223-111(42-53-140(199)258)164(285)216-109(40-51-138(197)256)162(283)218-113(44-55-146(264)265)165(286)214-107(34-27-28-64-196)161(282)234-130(76-142(201)260)180(301)224-114(45-56-147(266)267)166(287)217-110(41-52-139(198)257)163(284)219-115(46-57-148(268)269)169(290)229-123(69-89(6)7)175(296)228-122(159(205)280)68-88(4)5)245-184(305)124(70-90(8)9)230-188(309)136(85-250)242-178(299)129(75-101-83-208-87-212-101)239-191(312)156(94(14)22-3)246-185(306)125(71-91(10)11)231-189(310)137(86-251)243-194(315)158(96(16)253)248-186(307)126(72-98-36-38-102(255)39-37-98)232-181(302)132(78-144(203)262)236-182(303)133(79-145(204)263)240-192(313)155(93(13)21-2)244-173(294)119(50-61-152(276)277)222-160(281)108(35-29-65-209-195(206)207)215-183(304)134(80-153(278)279)237-177(298)127(73-99-81-210-105-32-25-23-30-103(99)105)233-170(291)116(47-58-149(270)271)221-172(293)121(63-67-317-19)226-176(297)128(74-100-82-211-106-33-26-24-31-104(100)106)238-193(314)157(95(15)252)247-174(295)120(62-66-316-18)213-97(17)254/h23-26,30-33,36-39,81-83,87-96,107-137,154-158,210-211,249-253,255H,20-22,27-29,34-35,40-80,84-86,196H2,1-19H3,(H2,197,256)(H2,198,257)(H2,199,258)(H2,200,259)(H2,201,260)(H2,202,261)(H2,203,262)(H2,204,263)(H2,205,280)(H,208,212)(H,213,254)(H,214,286)(H,215,304)(H,216,285)(H,217,287)(H,218,283)(H,219,284)(H,220,288)(H,221,293)(H,222,281)(H,223,300)(H,224,301)(H,225,308)(H,226,297)(H,227,311)(H,228,296)(H,229,290)(H,230,309)(H,231,310)(H,232,302)(H,233,291)(H,234,282)(H,235,289)(H,236,303)(H,237,298)(H,238,314)(H,239,312)(H,240,313)(H,241,292)(H,242,299)(H,243,315)(H,244,294)(H,245,305)(H,246,306)(H,247,295)(H,248,307)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H4,206,207,209)/t92-,93-,94-,95+,96+,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-/m0/s1

InChIKey

QNVNUQMBTFFSTD-GCZLLSKISA-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-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-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-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 49768000