basic_info |
|
| Product_Name： | BIOTIN-NEUROMEDIN S (RAT) |
| EnglishSynonyms： | BIOTIN-NEUROMEDIN S (RAT) |
| pro_mdlNumber： | MFCD17018894 |
| pro_acceptors： | 110 |
| pro_donors： | 62 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](Cc6ccccc6)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc7ccccc7)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc9c[nH]cn9)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| InChi： | InChI=1S/C203H321N59O51S2/c1-19-109(12)157(252-191(306)160(113(16)267)253-164(279)110(13)226-166(281)125(70-83-314-18)231-168(283)122(58-38-73-219-198(208)209)230-181(296)142(100-263)249-179(294)138(96-155(274)275)246-189(304)158(111(14)265)254-180(295)136(93-119-98-218-103-225-119)243-174(289)132(87-107(8)9)239-172(287)130(85-105(4)5)238-170(285)124(60-40-75-221-200(212)213)234-185(300)146-64-45-80-260(146)195(310)139(88-108(10)11)228-152(270)69-33-32-68-150-162-144(102-315-150)251-203(313)257-162)188(303)245-137(95-154(272)273)178(293)247-140(92-118-54-30-23-31-55-118)196(311)261-81-46-65-147(261)184(299)232-121(57-35-37-72-205)167(282)229-120(56-34-36-71-204)171(286)248-141(97-156(276)277)197(312)262-82-47-67-149(262)187(302)255-161(114(17)268)192(307)256-159(112(15)266)190(305)250-143(101-264)182(297)237-129(84-104(2)3)165(280)224-99-153(271)227-126(61-41-76-222-201(214)215)193(308)258-78-44-66-148(258)186(301)244-135(91-117-52-28-22-29-53-117)177(292)242-134(90-116-50-26-21-27-51-116)176(291)240-131(86-106(6)7)173(288)241-133(89-115-48-24-20-25-49-115)175(290)235-127(62-42-77-223-202(216)217)194(309)259-79-43-63-145(259)183(298)233-123(59-39-74-220-199(210)211)169(284)236-128(163(207)278)94-151(206)269/h20-31,48-55,98,103-114,120-150,157-162,263-268H,19,32-47,56-97,99-102,204-205H2,1-18H3,(H2,206,269)(H2,207,278)(H,218,225)(H,224,280)(H,226,281)(H,227,271)(H,228,270)(H,229,282)(H,230,296)(H,231,283)(H,232,299)(H,233,298)(H,234,300)(H,235,290)(H,236,284)(H,237,297)(H,238,285)(H,239,287)(H,240,291)(H,241,288)(H,242,292)(H,243,289)(H,244,301)(H,245,303)(H,246,304)(H,247,293)(H,248,286)(H,249,294)(H,250,305)(H,252,306)(H,253,279)(H,254,295)(H,255,302)(H,256,307)(H,272,273)(H,274,275)(H,276,277)(H4,208,209,219)(H4,210,211,220)(H4,212,213,221)(H4,214,215,222)(H4,216,217,223)(H2,251,257,313)/t109-,110-,111+,112+,113+,114+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,157-,158-,159-,160-,161-,162-/m0/s1 |
| InChiKey： | InChIKey=DHNRVHMXOGGNCC-IWAHKBSBSA-N |
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