Pnatar-neamine

Structural Information

Molecular Formula

C₁₉₂H₂₅₆N₉₄O₅₇

SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC(=O)CCC(=O)NCCCCCCO[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O)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)CN4C=C(C(=O)NC4=O)C)C(=O)CN5C=CC(=NC5=O)N)C(=O)CN6C=C(C(=O)NC6=O)C)C(=O)CN7C=NC8=C(N=CN=C87)N)C(=O)CN9C=NC1=C9N=C(NC1=O)N)C(=O)CN1C=NC2=C(N=CN=C21)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/C192H256N94O57/c1-104-59-277(189(337)251-172(104)324)85-141(311)255(63-117(202)287)40-19-212-120(290)64-256(135(305)79-271-34-11-111(196)239-183(271)331)44-23-216-128(298)72-264(144(314)88-280-62-107(4)175(327)254-192(280)340)49-27-220-129(299)73-267(147(317)91-283-100-235-154-165(206)229-97-232-168(154)283)52-30-223-133(303)77-269(149(319)93-285-102-237-156-170(285)246-181(208)249-177(156)329)53-31-224-130(300)74-266(146(316)90-282-99-234-153-164(205)228-96-231-167(153)282)51-29-222-125(295)69-260(139(309)83-275-38-15-115(200)243-187(275)335)46-24-217-127(297)71-263(143(313)87-279-61-106(3)174(326)253-191(279)339)48-26-219-123(293)67-261(140(310)84-276-39-16-116(201)244-188(276)336)47-25-218-132(302)76-268(148(318)92-284-101-236-155-169(284)245-180(207)248-176(155)328)55-33-226-134(304)78-270(150(320)94-286-103-238-157-171(286)247-182(209)250-178(157)330)54-32-225-131(301)75-265(145(315)89-281-98-233-152-163(204)227-95-230-166(152)281)50-28-221-124(294)68-258(137(307)81-273-36-13-113(198)241-185(273)333)43-21-214-121(291)65-257(136(306)80-272-35-12-112(197)240-184(272)332)42-20-213-122(292)66-259(138(308)82-274-37-14-114(199)242-186(274)334)45-22-215-126(296)70-262(142(312)86-278-60-105(2)173(325)252-190(278)338)41-18-211-119(289)10-9-118(288)210-17-7-5-6-8-56-341-162-158(321)108(194)57-109(195)161(162)343-179-151(203)160(323)159(322)110(58-193)342-179/h11-16,34-39,59-62,95-103,108-110,151,158-162,179,321-323H,5-10,17-33,40-58,63-94,193-195,203H2,1-4H3,(H2,202,287)(H,210,288)(H,211,289)(H,212,290)(H,213,292)(H,214,291)(H,215,296)(H,216,298)(H,217,297)(H,218,302)(H,219,293)(H,220,299)(H,221,294)(H,222,295)(H,223,303)(H,224,300)(H,225,301)(H,226,304)(H2,196,239,331)(H2,197,240,332)(H2,198,241,333)(H2,199,242,334)(H2,200,243,335)(H2,201,244,336)(H2,204,227,230)(H2,205,228,231)(H2,206,229,232)(H,251,324,337)(H,252,325,338)(H,253,326,339)(H,254,327,340)(H3,207,245,248,328)(H3,208,246,249,329)(H3,209,247,250,330)/t108-,109+,110-,151-,158+,159-,160-,161-,162-,179-/m1/s1

InChIKey

QGYOHSFXYAZMAO-SWIJMSCCSA-N

Compound name

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-[[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)acetyl]amino]ethylamino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-N-[6-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxyhexyl]butanediamide

Related CIDs

• CID 16197733