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

Structural Information

Molecular Formula

C₂₀₈H₃₂₃N₅₃O₆₉S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)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[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)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](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C208H323N53O69S2/c1-25-100(16)163(200(322)237-121(49-60-149(213)269)178(300)246-142(87-153(217)273)197(319)259-165(102(18)27-3)201(323)236-120(48-59-148(212)268)174(296)228-122(50-61-154(274)275)175(297)225-117(41-34-35-71-209)172(294)245-139(84-150(214)270)190(312)234-123(51-62-155(276)277)176(298)227-119(47-58-147(211)267)173(295)229-124(52-63-156(278)279)179(301)239-132(76-96(8)9)186(308)240-131(75-95(6)7)185(307)233-126(54-65-158(282)283)181(303)252-144(207(329)330)79-99(14)15)255-184(306)129(57-68-161(288)289)232-177(299)127(55-66-159(284)285)238-202(324)164(101(17)26-2)257-194(316)133(77-97(10)11)241-198(320)145(92-262)253-189(311)138(83-110-91-220-94-224-110)250-203(325)167(104(20)29-5)258-195(317)134(78-98(12)13)242-199(321)146(93-263)254-206(328)169(106(22)265)261-196(318)135(80-107-43-45-111(266)46-44-107)243-191(313)140(85-151(215)271)247-192(314)141(86-152(216)272)251-204(326)166(103(19)28-4)256-183(305)128(56-67-160(286)287)231-171(293)118(42-36-72-221-208(218)219)226-193(315)143(88-162(290)291)248-188(310)136(81-108-89-222-115-39-32-30-37-112(108)115)244-180(302)125(53-64-157(280)281)230-182(304)130(70-74-332-24)235-187(309)137(82-109-90-223-116-40-33-31-38-113(109)116)249-205(327)168(105(21)264)260-170(292)114(210)69-73-331-23/h30-33,37-40,43-46,89-91,94-106,114,117-146,163-169,222-223,262-266H,25-29,34-36,41-42,47-88,92-93,209-210H2,1-24H3,(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,270)(H2,215,271)(H2,216,272)(H2,217,273)(H,220,224)(H,225,297)(H,226,315)(H,227,298)(H,228,296)(H,229,295)(H,230,304)(H,231,293)(H,232,299)(H,233,307)(H,234,312)(H,235,309)(H,236,323)(H,237,322)(H,238,324)(H,239,301)(H,240,308)(H,241,320)(H,242,321)(H,243,313)(H,244,302)(H,245,294)(H,246,300)(H,247,314)(H,248,310)(H,249,327)(H,250,325)(H,251,326)(H,252,303)(H,253,311)(H,254,328)(H,255,306)(H,256,305)(H,257,316)(H,258,317)(H,259,319)(H,260,292)(H,261,318)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,329,330)(H4,218,219,221)/t100-,101-,102-,103-,104-,105+,106+,114-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,163-,164-,165-,166-,167-,168-,169-/m0/s1

InChIKey

LNKQZUOYJMAUDN-HYCGFQNLSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-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)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134221