Mismatched pna

Structural Information

Molecular Formula

C₂₀₄H₂₇₈N₁₀₂O₅₃

SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N(CCN)CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)C(=O)CN3C=NC4=C3N=C(NC4=O)N)C(=O)CN5C=NC6=C5N=C(NC6=O)N)C(=O)CN7C=NC8=C(N=CN=C87)N)C(=O)CN9C=NC1=C(N=CN=C19)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=C(C(=O)NC1=O)C

InChI

InChI=1S/C204H278N102O53/c1-111(2)154(193(352)353)262-187(346)120(21-11-15-28-208)258-186(345)121(22-16-30-236-194(216)217)259-184(343)118(19-9-13-26-206)256-183(342)117(18-8-12-25-205)257-185(344)119(20-10-14-27-207)260-188(347)122-23-17-45-306(122)153(336)96-290(152(335)95-305-110-255-163-177(305)266-198(221)270-192(163)351)61-44-235-137(320)80-289(151(334)94-304-109-254-162-176(304)265-197(220)269-191(162)350)60-43-234-134(317)77-285(147(330)90-300-105-250-158-167(214)240-100-245-172(158)300)55-38-231-132(315)75-282(144(327)87-297-102-247-155-164(211)237-97-242-169(155)297)53-36-228-128(311)71-281(143(326)86-296-66-116(7)182(341)275-204(296)359)52-35-226-131(314)74-284(146(329)89-299-104-249-157-166(213)239-99-244-171(157)299)56-39-232-135(318)78-287(149(332)92-302-107-252-160-174(302)263-195(218)267-189(160)348)58-41-227-125(308)68-277(138(321)81-291-46-24-123(210)261-199(291)354)48-31-223-130(313)73-283(145(328)88-298-103-248-156-165(212)238-98-243-170(156)298)54-37-230-133(316)76-286(148(331)91-301-106-251-159-168(215)241-101-246-173(159)301)57-40-233-136(319)79-288(150(333)93-303-108-253-161-175(303)264-196(219)268-190(161)349)59-42-229-129(312)72-280(142(325)85-295-65-115(6)181(340)274-203(295)358)51-34-225-127(310)70-279(141(324)84-294-64-114(5)180(339)273-202(294)357)50-33-224-126(309)69-278(140(323)83-293-63-113(4)179(338)272-201(293)356)49-32-222-124(307)67-276(47-29-209)139(322)82-292-62-112(3)178(337)271-200(292)355/h24,46,62-66,97-111,117-122,154H,8-23,25-45,47-61,67-96,205-209H2,1-7H3,(H,222,307)(H,223,313)(H,224,309)(H,225,310)(H,226,314)(H,227,308)(H,228,311)(H,229,312)(H,230,316)(H,231,315)(H,232,318)(H,233,319)(H,234,317)(H,235,320)(H,256,342)(H,257,344)(H,258,345)(H,259,343)(H,260,347)(H,262,346)(H,352,353)(H2,210,261,354)(H2,211,237,242)(H2,212,238,243)(H2,213,239,244)(H2,214,240,245)(H2,215,241,246)(H4,216,217,236)(H,271,337,355)(H,272,338,356)(H,273,339,357)(H,274,340,358)(H,275,341,359)(H3,218,263,267,348)(H3,219,264,268,349)(H3,220,265,269,350)(H3,221,266,270,351)/t117-,118-,119-,120-,121-,122-,154-/m0/s1

InChIKey

WAERZCCNJRHZFS-QXUBKYEPSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-1-[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-[[2-[2-aminoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]amino]ethyl-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16133669