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

Structural Information

Molecular Formula

C₂₀₂H₃₁₂N₅₄O₆₈S₂

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](CO)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](CO)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](C)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](C)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](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/C202H312N54O68S2/c1-23-96(14)159(196(318)235-124(52-63-156(280)281)175(297)227-119(47-58-151(270)271)168(290)220-99(17)164(286)222-116(44-55-144(206)263)176(298)243-136(81-148(210)267)186(308)231-118(46-57-146(208)265)172(294)226-117(45-56-145(207)264)171(293)228-120(48-59-152(272)273)173(295)223-113(37-30-31-67-203)170(292)242-135(80-147(209)266)187(309)233-121(49-60-153(274)275)174(296)225-115(43-54-143(205)262)167(289)221-100(18)165(287)236-127(71-91(4)5)182(304)237-128(72-92(6)7)181(303)232-123(51-62-155(278)279)178(300)249-140(201(323)324)75-95(12)13)253-191(313)129(73-93(8)9)238-194(316)141(88-257)250-185(307)134(79-106-87-215-90-219-106)247-197(319)161(98(16)25-3)254-192(314)130(74-94(10)11)239-195(317)142(89-258)251-200(322)163(102(20)260)256-193(315)131(76-103-39-41-107(261)42-40-103)240-188(310)137(82-149(211)268)244-189(311)138(83-150(212)269)248-198(320)160(97(15)24-2)252-180(302)125(53-64-157(282)283)230-169(291)114(38-32-68-216-202(213)214)224-190(312)139(84-158(284)285)245-184(306)132(77-104-85-217-111-35-28-26-33-108(104)111)241-177(299)122(50-61-154(276)277)229-179(301)126(66-70-326-22)234-183(305)133(78-105-86-218-112-36-29-27-34-109(105)112)246-199(321)162(101(19)259)255-166(288)110(204)65-69-325-21/h26-29,33-36,39-42,85-87,90-102,110,113-142,159-163,217-218,257-261H,23-25,30-32,37-38,43-84,88-89,203-204H2,1-22H3,(H2,205,262)(H2,206,263)(H2,207,264)(H2,208,265)(H2,209,266)(H2,210,267)(H2,211,268)(H2,212,269)(H,215,219)(H,220,290)(H,221,289)(H,222,286)(H,223,295)(H,224,312)(H,225,296)(H,226,294)(H,227,297)(H,228,293)(H,229,301)(H,230,291)(H,231,308)(H,232,303)(H,233,309)(H,234,305)(H,235,318)(H,236,287)(H,237,304)(H,238,316)(H,239,317)(H,240,310)(H,241,299)(H,242,292)(H,243,298)(H,244,311)(H,245,306)(H,246,321)(H,247,319)(H,248,320)(H,249,300)(H,250,307)(H,251,322)(H,252,302)(H,253,313)(H,254,314)(H,255,288)(H,256,315)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,323,324)(H4,213,214,216)/t96-,97-,98-,99-,100-,101+,102+,110-,113-,114-,115-,116-,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-,159-,160-,161-,162-,163-/m0/s1

InChIKey

LAFZQNKKDLZYJH-HRSBHIFBSA-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)-5-amino-2-[[(2S)-4-amino-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,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]propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134224