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-ala-gln-glu-lys-asn-glu-ala-ala-leu-arg-glu-leu-cooh

Structural Information

Molecular Formula

C₁₉₁H₃₀₂N₅₆O₆₁

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](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(=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/C191H302N56O61/c1-26-88(10)146(244-160(280)101(23)219-161(281)113(44-35-71-205-188(197)198)227-180(300)132(82-144(268)269)241-178(298)129(79-105-83-209-110-41-31-29-39-108(105)110)238-159(279)99(21)217-165(285)120(55-64-138(256)257)232-177(297)130(80-106-84-210-111-42-32-30-40-109(106)111)242-186(306)149(103(25)249)247-182(302)145(196)102(24)248)183(303)221-100(22)156(276)225-123(58-67-141(262)263)172(292)239-128(78-104-48-50-107(250)51-49-104)175(295)220-93(15)152(272)211-94(16)153(273)222-116(47-38-74-208-191(203)204)174(294)245-147(89(11)27-2)185(305)235-122(57-66-140(260)261)166(286)218-98(20)158(278)237-127(76-86(6)7)181(301)246-148(90(12)28-3)184(304)234-114(45-36-72-206-189(199)200)162(282)214-91(13)150(270)212-95(17)154(274)223-117(52-61-134(193)251)169(289)229-119(54-63-137(254)255)163(283)216-97(19)155(275)224-118(53-62-135(194)252)170(290)231-124(59-68-142(264)265)171(291)226-112(43-33-34-70-192)168(288)240-131(81-136(195)253)179(299)233-121(56-65-139(258)259)164(284)215-92(14)151(271)213-96(18)157(277)236-126(75-85(4)5)176(296)228-115(46-37-73-207-190(201)202)167(287)230-125(60-69-143(266)267)173(293)243-133(187(307)308)77-87(8)9/h29-32,39-42,48-51,83-103,112-133,145-149,209-210,248-250H,26-28,33-38,43-47,52-82,192,196H2,1-25H3,(H2,193,251)(H2,194,252)(H2,195,253)(H,211,272)(H,212,270)(H,213,271)(H,214,282)(H,215,284)(H,216,283)(H,217,285)(H,218,286)(H,219,281)(H,220,295)(H,221,303)(H,222,273)(H,223,274)(H,224,275)(H,225,276)(H,226,291)(H,227,300)(H,228,296)(H,229,289)(H,230,287)(H,231,290)(H,232,297)(H,233,299)(H,234,304)(H,235,305)(H,236,277)(H,237,278)(H,238,279)(H,239,292)(H,240,288)(H,241,298)(H,242,306)(H,243,293)(H,244,280)(H,245,294)(H,246,301)(H,247,302)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,307,308)(H4,197,198,205)(H4,199,200,206)(H4,201,202,207)(H4,203,204,208)/t88-,89-,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-,145-,146-,147-,148-,149-/m0/s1

InChIKey

HKZLXJBKDIXGKS-OVVHRFRFSA-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)-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]propanoyl]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 16134188