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

Structural Information

Molecular Formula

C₁₉₃H₂₉₆N₅₂O₆₇S₂

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](CO)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](CCC(=O)O)C(=O)N[C@@H](CC(C)C)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/C193H296N52O67S2/c1-19-91(12)152(187(306)224-117(48-59-149(270)271)165(284)217-116(47-58-148(268)269)169(288)238-133(83-246)184(303)222-111(42-53-139(199)255)166(285)231-128(76-141(201)257)176(295)220-110(41-52-138(198)254)162(281)213-108(39-50-136(196)252)160(279)215-112(43-54-144(260)261)163(282)211-106(33-26-27-63-194)159(278)230-127(75-140(200)256)177(296)221-113(44-55-145(262)263)164(283)214-109(40-51-137(197)253)161(280)216-114(45-56-146(264)265)167(286)225-120(67-87(4)5)172(291)237-132(192(311)312)70-90(10)11)242-181(300)121(68-88(6)7)226-185(304)134(84-247)239-175(294)126(74-99-82-206-86-210-99)235-188(307)154(93(14)21-3)243-182(301)122(69-89(8)9)227-186(305)135(85-248)240-191(310)156(95(16)250)245-183(302)123(71-96-35-37-100(251)38-36-96)228-178(297)129(77-142(202)258)232-179(298)130(78-143(203)259)236-189(308)153(92(13)20-2)241-171(290)118(49-60-150(272)273)219-158(277)107(34-28-64-207-193(204)205)212-180(299)131(79-151(274)275)233-174(293)124(72-97-80-208-104-31-24-22-29-101(97)104)229-168(287)115(46-57-147(266)267)218-170(289)119(62-66-314-18)223-173(292)125(73-98-81-209-105-32-25-23-30-102(98)105)234-190(309)155(94(15)249)244-157(276)103(195)61-65-313-17/h22-25,29-32,35-38,80-82,86-95,103,106-135,152-156,208-209,246-251H,19-21,26-28,33-34,39-79,83-85,194-195H2,1-18H3,(H2,196,252)(H2,197,253)(H2,198,254)(H2,199,255)(H2,200,256)(H2,201,257)(H2,202,258)(H2,203,259)(H,206,210)(H,211,282)(H,212,299)(H,213,281)(H,214,283)(H,215,279)(H,216,280)(H,217,284)(H,218,289)(H,219,277)(H,220,295)(H,221,296)(H,222,303)(H,223,292)(H,224,306)(H,225,286)(H,226,304)(H,227,305)(H,228,297)(H,229,287)(H,230,278)(H,231,285)(H,232,298)(H,233,293)(H,234,309)(H,235,307)(H,236,308)(H,237,291)(H,238,288)(H,239,294)(H,240,310)(H,241,290)(H,242,300)(H,243,301)(H,244,276)(H,245,302)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,311,312)(H4,204,205,207)/t91-,92-,93-,94+,95+,103-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,152-,153-,154-,155-,156-/m0/s1

InChIKey

KFHFOOMCMOPVRD-SGDXSRCMSA-N

Compound name

(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]-3-hydroxypropanoyl]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]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16134132