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

Structural Information

Molecular Formula

C₁₉₂H₃₀₃N₅₅O₆₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)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)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](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)N[C@@H](CC(C)C)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/C192H303N55O61/c1-27-89(12)148(244-161(279)101(24)218-162(280)113(44-36-70-206-190(200)201)223-181(299)133(82-146(268)269)241-178(296)129(78-105-83-209-110-41-32-30-39-108(105)110)237-159(277)99(22)216-165(283)119(54-63-140(256)257)230-177(295)130(79-106-84-210-111-42-33-31-40-109(106)111)242-188(306)151(103(26)249)247-184(302)147(199)102(25)248)185(303)220-100(23)160(278)238-131(80-138(197)254)180(298)239-128(77-104-47-49-107(250)50-48-104)175(293)219-94(17)154(272)213-97(20)157(275)235-126(74-86(6)7)182(300)246-150(91(14)29-3)187(305)233-121(56-65-142(260)261)166(284)217-98(21)158(276)236-127(75-87(8)9)183(301)245-149(90(13)28-2)186(304)232-114(45-37-71-207-191(202)203)163(281)214-92(15)152(270)211-95(18)155(273)221-116(51-60-135(194)251)169(287)228-123(58-67-144(264)265)173(291)226-117(52-61-136(195)252)170(288)225-118(53-62-137(196)253)171(289)229-122(57-66-143(262)263)172(290)222-112(43-34-35-69-193)168(286)240-132(81-139(198)255)179(297)231-120(55-64-141(258)259)164(282)215-93(16)153(271)212-96(19)156(274)234-125(73-85(4)5)176(294)224-115(46-38-72-208-192(204)205)167(285)227-124(59-68-145(266)267)174(292)243-134(189(307)308)76-88(10)11/h30-33,39-42,47-50,83-103,112-134,147-151,209-210,248-250H,27-29,34-38,43-46,51-82,193,199H2,1-26H3,(H2,194,251)(H2,195,252)(H2,196,253)(H2,197,254)(H2,198,255)(H,211,270)(H,212,271)(H,213,272)(H,214,281)(H,215,282)(H,216,283)(H,217,284)(H,218,280)(H,219,293)(H,220,303)(H,221,273)(H,222,290)(H,223,299)(H,224,294)(H,225,288)(H,226,291)(H,227,285)(H,228,287)(H,229,289)(H,230,295)(H,231,297)(H,232,304)(H,233,305)(H,234,274)(H,235,275)(H,236,276)(H,237,277)(H,238,278)(H,239,298)(H,240,286)(H,241,296)(H,242,306)(H,243,292)(H,244,279)(H,245,301)(H,246,300)(H,247,302)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,307,308)(H4,200,201,206)(H4,202,203,207)(H4,204,205,208)/t89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,147-,148-,149-,150-,151-/m0/s1

InChIKey

PBDGLLQVYUJZCF-IUCKCMELSA-N

Compound name

(2S)-2-[[(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)-4-amino-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-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]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]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134165