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

Structural Information

Molecular Formula

C₂₁₆H₃₇₇N₅₇O₅₆

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](C)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](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)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](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)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

InChI

InChI=1S/C216H377N57O56/c1-36-115(21)168(177(229)291)266-179(293)124(30)236-186(300)147(79-88-163(283)284)257-212(326)173(120(26)41-6)270-199(313)140(72-53-61-99-224)245-188(302)133(65-46-54-92-217)242-191(305)136(68-49-57-95-220)254-209(323)170(117(23)38-3)267-180(294)125(31)237-185(299)146(78-87-162(281)282)248-195(309)143(75-84-158(226)277)247-196(310)149(81-90-165(287)288)249-189(303)134(66-47-55-93-218)243-192(306)137(69-50-58-96-221)255-210(324)171(118(24)39-4)268-181(295)126(32)238-187(301)148(80-89-164(285)286)258-213(327)174(121(27)42-7)272-201(315)150(82-91-166(289)290)250-190(304)135(67-48-56-94-219)244-193(307)138(70-51-59-97-222)256-211(325)172(119(25)40-5)269-182(296)127(33)239-202(316)152(102-110(11)12)262-214(328)175(122(28)43-8)271-200(314)141(73-62-100-232-216(230)231)241-178(292)123(29)235-184(298)142(74-83-157(225)276)251-204(318)153(103-111(13)14)259-197(311)144(76-85-159(227)278)246-194(308)139(71-52-60-98-223)253-208(322)169(116(22)37-2)264-161(280)108-234-183(297)156(106-130-107-233-132-64-45-44-63-131(130)132)263-207(321)167(114(19)20)265-215(329)176(128(34)274)273-206(320)155(105-113(17)18)260-198(312)145(77-86-160(228)279)252-205(319)154(104-112(15)16)261-203(317)151(101-109(9)10)240-129(35)275/h44-45,63-64,107,109-128,133-156,167-176,233,274H,36-43,46-62,65-106,108,217-224H2,1-35H3,(H2,225,276)(H2,226,277)(H2,227,278)(H2,228,279)(H2,229,291)(H,234,297)(H,235,298)(H,236,300)(H,237,299)(H,238,301)(H,239,316)(H,240,275)(H,241,292)(H,242,305)(H,243,306)(H,244,307)(H,245,302)(H,246,308)(H,247,310)(H,248,309)(H,249,303)(H,250,304)(H,251,318)(H,252,319)(H,253,322)(H,254,323)(H,255,324)(H,256,325)(H,257,326)(H,258,327)(H,259,311)(H,260,312)(H,261,317)(H,262,328)(H,263,321)(H,264,280)(H,265,329)(H,266,293)(H,267,294)(H,268,295)(H,269,296)(H,270,313)(H,271,314)(H,272,315)(H,273,320)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H4,230,231,232)/t115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-/m0/s1

InChIKey

RETTXANHIOHQDD-PNTAEAERSA-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-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-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-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 16134116