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

Structural Information

Molecular Formula

C₁₉₃H₃₀₀N₅₆O₆₂

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](CC2=CN=CN2)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](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](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C193H300N56O62/c1-25-89(10)149(246-162(282)101(22)219-163(283)114(42-34-70-207-191(200)201)227-183(303)134(81-147(271)272)242-181(301)130(77-105-82-210-111-39-30-28-37-109(105)111)239-161(281)98(19)218-165(285)120(52-62-140(257)258)234-180(300)131(78-106-83-211-112-40-31-29-38-110(106)112)243-189(309)152(103(24)251)249-185(305)148(199)102(23)250)186(306)222-100(21)158(278)225-123(55-65-143(263)264)174(294)240-129(76-104-45-47-108(252)48-46-104)177(297)220-94(15)155(275)213-95(16)156(276)223-116(44-36-72-209-193(204)205)176(296)247-151(91(12)27-3)188(308)244-132(79-107-84-206-85-212-107)178(298)221-99(20)160(280)238-128(74-87(6)7)184(304)248-150(90(11)26-2)187(307)236-122(54-64-142(261)262)166(286)217-93(14)153(273)214-96(17)157(277)224-117(49-59-136(195)253)169(289)232-125(57-67-145(267)268)173(293)230-118(50-60-137(196)254)170(290)229-119(51-61-138(197)255)171(291)233-124(56-66-144(265)266)172(292)226-113(41-32-33-69-194)168(288)241-133(80-139(198)256)182(302)235-121(53-63-141(259)260)164(284)216-92(13)154(274)215-97(18)159(279)237-127(73-86(4)5)179(299)228-115(43-35-71-208-192(202)203)167(287)231-126(58-68-146(269)270)175(295)245-135(190(310)311)75-88(8)9/h28-31,37-40,45-48,82-103,113-135,148-152,210-211,250-252H,25-27,32-36,41-44,49-81,194,199H2,1-24H3,(H2,195,253)(H2,196,254)(H2,197,255)(H2,198,256)(H,206,212)(H,213,275)(H,214,273)(H,215,274)(H,216,284)(H,217,286)(H,218,285)(H,219,283)(H,220,297)(H,221,298)(H,222,306)(H,223,276)(H,224,277)(H,225,278)(H,226,292)(H,227,303)(H,228,299)(H,229,290)(H,230,293)(H,231,287)(H,232,289)(H,233,291)(H,234,300)(H,235,302)(H,236,307)(H,237,279)(H,238,280)(H,239,281)(H,240,294)(H,241,288)(H,242,301)(H,243,309)(H,244,308)(H,245,295)(H,246,282)(H,247,296)(H,248,304)(H,249,305)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,310,311)(H4,200,201,207)(H4,202,203,208)(H4,204,205,209)/t89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,148-,149-,150-,151-,152-/m0/s1

InChIKey

ZAFAJINAYFWTMP-XDDPUHOYSA-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)-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]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]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 16134164