Nh2-thr-thr-trp-glu-ala-trp-asp-arg-ala-ile-ala-glu-tyr-ala-ala-arg-ile-glu-ala-leu-ile-arg-ala-ala-gln-glu-gln-gln-glu-lys-asn-glu-ala-ala-leu-arg-glu-cooh

Structural Information

Molecular Formula

C₁₈₇H₂₉₄N₅₆O₆₁

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](C)C(=O)N[C@@H](CCC(=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)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](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)O)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)N

InChI

InChI=1S/C187H294N56O61/c1-23-85(8)143(240-156(276)97(20)215-157(277)109(41-32-70-202-184(194)195)222-176(296)129(80-141(265)266)238-174(294)126(77-101-81-206-106-38-28-26-36-104(101)106)235-155(275)95(18)213-160(280)116(52-62-134(251)252)228-173(293)127(78-102-82-207-107-39-29-27-37-105(102)107)239-182(302)146(99(22)245)243-178(298)142(193)98(21)244)179(299)217-96(19)152(272)220-119(55-65-137(257)258)169(289)236-125(76-100-45-47-103(246)48-46-100)171(291)216-90(13)149(269)208-91(14)150(270)218-112(44-35-73-205-187(200)201)170(290)241-144(86(9)24-2)181(301)231-118(54-64-136(255)256)161(281)214-94(17)154(274)234-124(75-84(6)7)177(297)242-145(87(10)25-3)180(300)230-110(42-33-71-203-185(196)197)158(278)211-88(11)147(267)209-92(15)151(271)219-113(49-59-130(189)247)164(284)226-121(57-67-139(261)262)168(288)225-114(50-60-131(190)248)165(285)224-115(51-61-132(191)249)166(286)227-120(56-66-138(259)260)167(287)221-108(40-30-31-69-188)163(283)237-128(79-133(192)250)175(295)229-117(53-63-135(253)254)159(279)212-89(12)148(268)210-93(16)153(273)233-123(74-83(4)5)172(292)223-111(43-34-72-204-186(198)199)162(282)232-122(183(303)304)58-68-140(263)264/h26-29,36-39,45-48,81-99,108-129,142-146,206-207,244-246H,23-25,30-35,40-44,49-80,188,193H2,1-22H3,(H2,189,247)(H2,190,248)(H2,191,249)(H2,192,250)(H,208,269)(H,209,267)(H,210,268)(H,211,278)(H,212,279)(H,213,280)(H,214,281)(H,215,277)(H,216,291)(H,217,299)(H,218,270)(H,219,271)(H,220,272)(H,221,287)(H,222,296)(H,223,292)(H,224,285)(H,225,288)(H,226,284)(H,227,286)(H,228,293)(H,229,295)(H,230,300)(H,231,301)(H,232,282)(H,233,273)(H,234,274)(H,235,275)(H,236,289)(H,237,283)(H,238,294)(H,239,302)(H,240,276)(H,241,290)(H,242,297)(H,243,298)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,303,304)(H4,194,195,202)(H4,196,197,203)(H4,198,199,204)(H4,200,201,205)/t85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98+,99+,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,142-,143-,144-,145-,146-/m0/s1

InChIKey

PIKFWYZGEBZBDV-KDOLABIFSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-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,3R)-2-amino-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]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]pentanedioic acid

Related CIDs

• CID 16134175