T-21

Structural Information

Molecular Formula

C₂₀₄H₃₃₉N₆₁O₅₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)C

InChI

InChI=1S/C204H339N61O55/c1-33-105(24)161(198(317)244-122(48-39-41-73-206)174(293)240-128(59-67-150(210)272)179(298)247-134(78-96(6)7)186(305)242-126(57-65-148(208)270)172(291)229-108(27)166(285)235-125(51-44-76-225-204(220)221)182(301)264-163(107(26)35-3)200(319)258-133(77-95(4)5)183(302)232-110(29)168(287)261-159(103(20)21)196(315)245-132(63-71-157(280)281)178(297)237-124(50-43-75-224-203(218)219)176(295)254-141(85-114-52-54-117(268)55-53-114)190(309)251-136(80-98(10)11)184(303)238-121(47-38-40-72-205)175(294)257-146(90-158(282)283)194(313)234-120(165(215)284)56-64-147(207)269)260-155(277)93-227-170(289)142(86-115-91-226-119-46-37-36-45-118(115)119)259-197(316)160(104(22)23)262-201(320)164(112(31)266)265-195(314)140(84-102(18)19)248-180(299)130(61-69-152(212)274)243-187(306)137(81-99(12)13)250-188(307)138(82-100(14)15)252-191(310)143(87-116-92-222-94-228-116)255-181(300)129(60-68-151(211)273)241-177(296)127(58-66-149(209)271)236-167(286)109(28)230-173(292)131(62-70-156(278)279)246-199(318)162(106(25)34-2)263-169(288)111(30)231-171(290)123(49-42-74-223-202(216)217)239-185(304)135(79-97(8)9)249-189(308)139(83-101(16)17)253-193(312)145(89-154(214)276)256-192(311)144(88-153(213)275)233-113(32)267/h36-37,45-46,52-55,91-92,94-112,120-146,159-164,226,266,268H,33-35,38-44,47-51,56-90,93,205-206H2,1-32H3,(H2,207,269)(H2,208,270)(H2,209,271)(H2,210,272)(H2,211,273)(H2,212,274)(H2,213,275)(H2,214,276)(H2,215,284)(H,222,228)(H,227,289)(H,229,291)(H,230,292)(H,231,290)(H,232,302)(H,233,267)(H,234,313)(H,235,285)(H,236,286)(H,237,297)(H,238,303)(H,239,304)(H,240,293)(H,241,296)(H,242,305)(H,243,306)(H,244,317)(H,245,315)(H,246,318)(H,247,298)(H,248,299)(H,249,308)(H,250,307)(H,251,309)(H,252,310)(H,253,312)(H,254,295)(H,255,300)(H,256,311)(H,257,294)(H,258,319)(H,259,316)(H,260,277)(H,261,287)(H,262,320)(H,263,288)(H,264,301)(H,265,314)(H,278,279)(H,280,281)(H,282,283)(H4,216,217,223)(H4,218,219,224)(H4,220,221,225)/t105-,106-,107-,108-,109-,110-,111-,112+,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-,146-,159-,160-,161-,162-,163-,164-/m0/s1

InChIKey

GNJOBORNQQWCJY-LXRBGHIZSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-carboxy-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130096