T-267229

Structural Information

Molecular Formula

C₂₀₁H₃₂₂N₅₆O₆₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)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](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)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](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)C

InChI

InChI=1S/C201H322N56O60/c1-31-98(16)155(254-169(289)109(27)226-170(290)122(49-40-76-214-198(206)207)233-191(311)144(89-154(278)279)252-190(310)142(87-114-90-218-119-46-36-34-44-117(114)119)248-168(288)107(25)224-173(293)129(60-69-148(266)267)241-189(309)143(88-115-91-219-120-47-37-35-45-118(115)120)253-196(316)159(111(29)259)257-197(317)158(110(28)258)229-112(30)260)193(313)228-108(26)164(284)231-131(62-71-150(270)271)181(301)251-141(86-113-53-55-116(261)56-54-113)184(304)227-102(20)162(282)220-103(21)163(283)230-125(52-43-79-217-201(212)213)183(303)255-156(99(17)32-2)195(315)243-130(61-70-149(268)269)174(294)225-106(24)167(287)247-140(85-97(14)15)192(312)256-157(100(18)33-3)194(314)242-123(50-41-77-215-199(208)209)171(291)223-105(23)166(286)246-137(82-94(8)9)186(306)238-126(57-66-145(203)262)178(298)237-134(65-74-153(276)277)182(302)250-139(84-96(12)13)187(307)239-127(58-67-146(204)263)177(297)236-132(63-72-151(272)273)179(299)232-121(48-38-39-75-202)176(296)249-138(83-95(10)11)188(308)240-128(59-68-147(264)265)172(292)222-101(19)161(281)221-104(22)165(285)245-136(81-93(6)7)185(305)234-124(51-42-78-216-200(210)211)175(295)235-133(64-73-152(274)275)180(300)244-135(160(205)280)80-92(4)5/h34-37,44-47,53-56,90-111,121-144,155-159,218-219,258-259,261H,31-33,38-43,48-52,57-89,202H2,1-30H3,(H2,203,262)(H2,204,263)(H2,205,280)(H,220,282)(H,221,281)(H,222,292)(H,223,291)(H,224,293)(H,225,294)(H,226,290)(H,227,304)(H,228,313)(H,229,260)(H,230,283)(H,231,284)(H,232,299)(H,233,311)(H,234,305)(H,235,295)(H,236,297)(H,237,298)(H,238,306)(H,239,307)(H,240,308)(H,241,309)(H,242,314)(H,243,315)(H,244,300)(H,245,285)(H,246,286)(H,247,287)(H,248,288)(H,249,296)(H,250,302)(H,251,301)(H,252,310)(H,253,316)(H,254,289)(H,255,303)(H,256,312)(H,257,317)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H4,206,207,214)(H4,208,209,215)(H4,210,211,216)(H4,212,213,217)/t98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110+,111+,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,155-,156-,157-,158-,159-/m0/s1

InChIKey

NGWRYVTUTNXAMT-HLJAAHFSSA-N

Compound name

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

Related CIDs

• CID 49768016