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-cooh

Structural Information

Molecular Formula

C₁₈₂H₂₈₇N₅₅O₅₈

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)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/C182H287N55O58/c1-23-83(8)139(234-152(268)95(20)210-153(269)107(41-32-68-197-179(189)190)217-171(287)126(78-137(257)258)232-169(285)123(75-99-79-201-104-38-28-26-36-102(99)104)229-151(267)93(18)208-156(272)113(52-61-131(245)246)222-168(284)124(76-100-80-202-105-39-29-27-37-103(100)105)233-177(293)142(97(22)239)237-173(289)138(188)96(21)238)174(290)212-94(19)148(264)215-116(55-64-134(251)252)164(280)230-122(74-98-45-47-101(240)48-46-98)166(282)211-88(13)145(261)203-89(14)146(262)213-109(43-34-70-199-181(193)194)165(281)235-140(84(9)24-2)176(292)225-115(54-63-133(249)250)157(273)209-92(17)150(266)228-121(73-82(6)7)172(288)236-141(85(10)25-3)175(291)224-108(42-33-69-198-180(191)192)154(270)206-86(11)143(259)204-90(15)147(263)214-110(49-58-127(184)241)159(275)220-118(57-66-136(255)256)163(279)219-111(50-59-128(185)242)160(276)218-112(51-60-129(186)243)161(277)221-117(56-65-135(253)254)162(278)216-106(40-30-31-67-183)158(274)231-125(77-130(187)244)170(286)223-114(53-62-132(247)248)155(271)207-87(12)144(260)205-91(16)149(265)227-120(72-81(4)5)167(283)226-119(178(294)295)44-35-71-200-182(195)196/h26-29,36-39,45-48,79-97,106-126,138-142,201-202,238-240H,23-25,30-35,40-44,49-78,183,188H2,1-22H3,(H2,184,241)(H2,185,242)(H2,186,243)(H2,187,244)(H,203,261)(H,204,259)(H,205,260)(H,206,270)(H,207,271)(H,208,272)(H,209,273)(H,210,269)(H,211,282)(H,212,290)(H,213,262)(H,214,263)(H,215,264)(H,216,278)(H,217,287)(H,218,276)(H,219,279)(H,220,275)(H,221,277)(H,222,284)(H,223,286)(H,224,291)(H,225,292)(H,226,283)(H,227,265)(H,228,266)(H,229,267)(H,230,280)(H,231,274)(H,232,285)(H,233,293)(H,234,268)(H,235,281)(H,236,288)(H,237,289)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,294,295)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)(H4,195,196,200)/t83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96+,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,138-,139-,140-,141-,142-/m0/s1

InChIKey

QDXLVPGPEGTRBY-DBJIAFHOSA-N

Compound name

(4S)-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)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]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]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-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]-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-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]-5-oxopentanoic acid

Related CIDs

• CID 16134176