Chembl2165878

Structural Information

Molecular Formula

C₁₇₀H₂₁₅N₈₉O₄₉

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)NCCN(CC(=O)N)C(=O)CN2C=C(C(=O)NC2=O)C)C(=O)CN3C=CC(=NC3=O)N)C(=O)CN4C=C(C(=O)NC4=O)C)C(=O)CN5C=NC6=C(N=CN=C65)N)C(=O)CN7C=NC8=C7N=C(NC8=O)N)C(=O)CN9C=NC1=C(N=CN=C19)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=C(C(=O)NC1=O)C)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C1N=C(NC2=O)N)C(=O)CN1C=NC2=C(N=CN=C21)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N)C(=O)CN1C=CC(=NC1=O)N

InChI

InChI=1S/C170H215N89O49/c1-94-49-250(167(305)224-151(94)292)75-126(282)228(33-11-171)54-105(261)186-13-35-230(120(276)69-244-27-5-98(172)212-161(244)299)56-107(263)187-14-36-232(122(278)71-246-29-7-100(174)214-163(246)301)57-108(264)188-15-37-233(123(279)72-247-30-8-101(175)215-164(247)302)59-110(266)194-21-43-238(130(286)79-254-88-206-136-142(179)200-85-203-145(136)254)65-116(272)198-25-47-243(135(291)84-259-93-211-141-150(259)220-160(184)223-157(141)298)68-119(275)199-26-48-241(133(289)82-257-91-209-139-148(257)218-158(182)221-155(139)296)66-117(273)191-18-40-235(125(281)74-249-32-10-103(177)217-166(249)304)58-109(265)192-19-41-236(128(284)77-252-51-96(3)153(294)226-169(252)307)61-112(268)190-17-39-234(124(280)73-248-31-9-102(176)216-165(248)303)60-111(267)195-22-44-239(131(287)80-255-89-207-137-143(180)201-86-204-146(137)255)64-115(271)197-24-46-242(134(290)83-258-92-210-140-149(258)219-159(183)222-156(140)297)67-118(274)196-23-45-240(132(288)81-256-90-208-138-144(181)202-87-205-147(138)256)63-114(270)193-20-42-237(129(285)78-253-52-97(4)154(295)227-170(253)308)62-113(269)189-16-38-231(121(277)70-245-28-6-99(173)213-162(245)300)55-106(262)185-12-34-229(53-104(178)260)127(283)76-251-50-95(2)152(293)225-168(251)306/h5-10,27-32,49-52,85-93H,11-26,33-48,53-84,171H2,1-4H3,(H2,178,260)(H,185,262)(H,186,261)(H,187,263)(H,188,264)(H,189,269)(H,190,268)(H,191,273)(H,192,265)(H,193,270)(H,194,266)(H,195,267)(H,196,274)(H,197,271)(H,198,272)(H,199,275)(H2,172,212,299)(H2,173,213,300)(H2,174,214,301)(H2,175,215,302)(H2,176,216,303)(H2,177,217,304)(H2,179,200,203)(H2,180,201,204)(H2,181,202,205)(H,224,292,305)(H,225,293,306)(H,226,294,307)(H,227,295,308)(H3,182,218,221,296)(H3,183,219,222,297)(H3,184,220,223,298)

InChIKey

CBSPFTVUVWYPHX-UHFFFAOYSA-N

Compound name

N-[2-[[2-[2-aminoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetyl]amino]ethyl]-N-[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-amino-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(2-amino-6-oxo-1H-purin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(6-aminopurin-9-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]ethylamino]-2-oxoethyl]-2-(4-amino-2-oxopyrimidin-1-yl)acetamide

Related CIDs

• CID 16197732