Ac-trp-glu-glu-trp-asp-arg-glu-ile-asn-asn-tyr-thr-lys-leu-ile-his-glu-leu-ile-glu-glu-ser-gln-asn-gln-gln-glu-lys-asn-glu-gln-glu-leu-leu-nh2

Structural Information

Molecular Formula

C₁₉₁H₂₉₀N₅₂O₆₆

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](CCCCN)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](CCC(=O)O)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](CCC(=O)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)C

InChI

InChI=1S/C191H290N52O66/c1-17-91(12)153(187(306)226-119(51-64-150(270)271)167(286)218-118(50-63-149(268)269)172(291)239-134(85-244)186(305)224-111(43-56-138(197)251)168(287)234-130(78-140(199)253)178(297)220-110(42-55-137(196)250)163(282)213-108(40-53-135(194)248)161(280)215-112(44-57-143(256)257)164(283)211-105(33-24-26-66-192)159(278)233-129(77-139(198)252)179(298)223-114(46-59-145(260)261)165(284)214-109(41-54-136(195)249)162(281)216-115(47-60-146(262)263)169(288)228-122(70-88(6)7)174(293)227-121(157(202)276)69-87(4)5)241-184(303)124(72-90(10)11)230-170(289)117(49-62-148(266)267)222-177(296)128(76-99-84-205-86-209-99)237-188(307)155(93(14)19-3)242-183(302)123(71-89(8)9)229-160(279)106(34-25-27-67-193)225-190(309)156(94(15)245)243-185(304)125(73-96-36-38-100(247)39-37-96)231-180(299)131(79-141(200)254)235-181(300)132(80-142(201)255)238-189(308)154(92(13)18-2)240-173(292)120(52-65-151(272)273)219-158(277)107(35-28-68-206-191(203)204)212-182(301)133(81-152(274)275)236-176(295)127(75-98-83-208-104-32-23-21-30-102(98)104)232-171(290)116(48-61-147(264)265)217-166(285)113(45-58-144(258)259)221-175(294)126(210-95(16)246)74-97-82-207-103-31-22-20-29-101(97)103/h20-23,29-32,36-39,82-84,86-94,105-134,153-156,207-208,244-245,247H,17-19,24-28,33-35,40-81,85,192-193H2,1-16H3,(H2,194,248)(H2,195,249)(H2,196,250)(H2,197,251)(H2,198,252)(H2,199,253)(H2,200,254)(H2,201,255)(H2,202,276)(H,205,209)(H,210,246)(H,211,283)(H,212,301)(H,213,282)(H,214,284)(H,215,280)(H,216,281)(H,217,285)(H,218,286)(H,219,277)(H,220,297)(H,221,294)(H,222,296)(H,223,298)(H,224,305)(H,225,309)(H,226,306)(H,227,293)(H,228,288)(H,229,279)(H,230,289)(H,231,299)(H,232,290)(H,233,278)(H,234,287)(H,235,300)(H,236,295)(H,237,307)(H,238,308)(H,239,291)(H,240,292)(H,241,303)(H,242,302)(H,243,304)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H4,203,204,206)/t91-,92-,93-,94+,105-,106-,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-,153-,154-,155-,156-/m0/s1

InChIKey

YPWDQOOJWHDEPG-SPOGYUQTSA-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-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]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]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]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 16131997