Ac-ile-lys-lys-glu-ile-glu-ala-ile-lys-lys-glu-gln-glu-ala-ile-lys-lys-lys-ile-glu-ala-ile-glu-lys-llqltvwgikqlqaril-nh2

Structural Information

Molecular Formula

C₂₂₄H₃₉₁N₅₉O₅₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)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@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)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)C

InChI

InChI=1S/C224H391N59O59/c1-35-120(21)175(248-133(34)285)215(334)262-141(70-49-58-100-229)197(316)252-139(68-47-56-98-227)196(315)259-156(85-95-173(301)302)209(328)282-181(126(27)41-7)221(340)267-153(82-92-170(295)296)193(312)246-130(31)187(306)278-178(123(24)38-4)218(337)265-143(72-51-60-102-231)199(318)251-138(67-46-55-97-226)195(314)258-154(83-93-171(297)298)203(322)256-148(77-87-164(235)287)202(321)257-151(80-90-168(291)292)191(310)245-129(30)186(305)277-177(122(23)37-3)217(336)264-142(71-50-59-101-230)198(317)250-137(66-45-54-96-225)194(313)254-145(74-53-62-104-233)207(326)280-180(125(26)40-6)220(339)266-152(81-91-169(293)294)192(311)247-131(32)188(307)279-179(124(25)39-5)219(338)268-155(84-94-172(299)300)204(323)253-140(69-48-57-99-228)201(320)270-160(109-117(15)16)212(331)273-159(108-116(13)14)211(330)261-150(79-89-166(237)289)206(325)272-161(110-118(17)18)213(332)283-183(132(33)284)223(342)276-174(119(19)20)214(333)274-162(111-134-112-242-136-65-44-43-64-135(134)136)189(308)243-113-167(290)275-176(121(22)36-2)216(335)263-144(73-52-61-103-232)200(319)255-149(78-88-165(236)288)205(324)271-158(107-115(11)12)210(329)260-147(76-86-163(234)286)190(309)244-128(29)185(304)249-146(75-63-105-241-224(239)240)208(327)281-182(127(28)42-8)222(341)269-157(184(238)303)106-114(9)10/h43-44,64-65,112,114-132,137-162,174-183,242,284H,35-42,45-63,66-111,113,225-233H2,1-34H3,(H2,234,286)(H2,235,287)(H2,236,288)(H2,237,289)(H2,238,303)(H,243,308)(H,244,309)(H,245,310)(H,246,312)(H,247,311)(H,248,285)(H,249,304)(H,250,317)(H,251,318)(H,252,316)(H,253,323)(H,254,313)(H,255,319)(H,256,322)(H,257,321)(H,258,314)(H,259,315)(H,260,329)(H,261,330)(H,262,334)(H,263,335)(H,264,336)(H,265,337)(H,266,339)(H,267,340)(H,268,338)(H,269,341)(H,270,320)(H,271,324)(H,272,325)(H,273,331)(H,274,333)(H,275,290)(H,276,342)(H,277,305)(H,278,306)(H,279,307)(H,280,326)(H,281,327)(H,282,328)(H,283,332)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H4,239,240,241)/t120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132+,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-/m0/s1

InChIKey

KJVLTZWLNIMBDG-FWGZKCJYSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-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]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-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-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130754