Ac-lys-ile-glu-glu-ile-glu-ser-lys-gln-lys-lys-ile-glu-asn-glu-ile-ala-arg-ile-lys-lys-leu-leu-gln-leu-thr-val-trp-gly-ile-lys-gln-leu-gln-ala-arg-ile-leu-nh2

Structural Information

Molecular Formula

C₂₀₈H₃₆₂N₅₈O₅₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)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](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)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](CCCCN)NC(=O)C

InChI

InChI=1S/C208H362N58O56/c1-31-110(20)162(200(316)245-129(63-45-52-90-214)178(294)240-135(69-78-152(218)272)182(298)252-143(95-105(10)11)192(308)242-133(67-76-150(216)270)174(290)230-117(27)171(287)233-131(65-54-92-226-207(222)223)189(305)264-168(116(26)37-7)205(321)250-142(170(221)286)94-104(8)9)258-155(275)102-229-173(289)147(99-121-101-228-123-57-39-38-56-122(121)123)256-198(314)161(109(18)19)259-206(322)169(119(29)268)266-196(312)146(98-108(16)17)253-183(299)136(70-79-153(219)273)243-193(309)144(96-106(12)13)254-194(310)145(97-107(14)15)251-179(295)127(61-43-50-88-212)235-177(293)128(62-44-51-89-213)246-201(317)164(112(22)33-3)263-188(304)132(66-55-93-227-208(224)225)234-172(288)118(28)231-199(315)163(111(21)32-2)260-191(307)141(75-84-160(284)285)244-195(311)148(100-154(220)274)255-184(300)138(72-81-157(278)279)248-203(319)166(114(24)35-5)262-187(303)130(64-46-53-91-215)237-175(291)125(59-41-48-86-210)236-180(296)134(68-77-151(217)271)239-176(292)126(60-42-49-87-211)238-197(313)149(103-267)257-185(301)139(73-82-158(280)281)249-204(320)167(115(25)36-6)265-190(306)140(74-83-159(282)283)241-181(297)137(71-80-156(276)277)247-202(318)165(113(23)34-4)261-186(302)124(232-120(30)269)58-40-47-85-209/h38-39,56-57,101,104-119,124-149,161-169,228,267-268H,31-37,40-55,58-100,102-103,209-215H2,1-30H3,(H2,216,270)(H2,217,271)(H2,218,272)(H2,219,273)(H2,220,274)(H2,221,286)(H,229,289)(H,230,290)(H,231,315)(H,232,269)(H,233,287)(H,234,288)(H,235,293)(H,236,296)(H,237,291)(H,238,313)(H,239,292)(H,240,294)(H,241,297)(H,242,308)(H,243,309)(H,244,311)(H,245,316)(H,246,317)(H,247,318)(H,248,319)(H,249,320)(H,250,321)(H,251,295)(H,252,298)(H,253,299)(H,254,310)(H,255,300)(H,256,314)(H,257,301)(H,258,275)(H,259,322)(H,260,307)(H,261,302)(H,262,303)(H,263,304)(H,264,305)(H,265,306)(H,266,312)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H4,222,223,226)(H4,224,225,227)/t110-,111-,112-,113-,114-,115-,116-,117-,118-,119+,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,161-,162-,163-,164-,165-,166-,167-,168-,169-/m0/s1

InChIKey

JURQZRDZIJNSBK-ZFDHJFLGSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130750