basic_info |
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Product_Name: | BIOTIN-INTERMEDIN (HUMAN) |
EnglishSynonyms: | BIOTIN-INTERMEDIN (HUMAN) |
pro_mdlNumber: | MFCD20265153 |
pro_acceptors: | 139 |
pro_donors: | 75 |
pro_smile: | CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5c[nH]cn5)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc7c[nH]c8c7cccc8)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc9c[nH]cn9)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
InChi: | InChI=1S/C229H365N71O68S4/c1-104(2)74-137(281-219(361)178(112(17)18)294-212(354)154(99-369)260-171(318)91-252-217(359)176(110(13)14)292-195(337)128(42-33-68-248-228(242)243)263-197(339)139(76-106(5)6)274-199(341)140(77-107(7)8)273-191(333)130(54-60-163(231)310)261-185(327)115(22)256-188(330)129(53-59-162(230)309)269-221(363)180(117(24)306)290-169(316)48-30-29-47-161-182-156(101-372-161)289-229(368)296-182)187(329)251-92-172(319)291-181(118(25)307)222(364)288-155(100-370)211(353)266-134(58-64-167(235)314)196(338)293-177(111(15)16)218(360)268-133(57-63-166(234)313)194(336)278-146(84-168(236)315)205(347)275-142(79-109(11)12)201(343)284-151(96-303)209(351)277-144(82-121-88-244-102-254-121)203(345)262-127(41-32-67-247-227(240)241)190(332)271-141(78-108(9)10)200(342)276-143(81-120-87-249-125-39-28-27-38-124(120)125)202(344)265-132(56-62-165(233)312)192(334)272-138(75-105(3)4)198(340)267-135(65-73-371-26)186(328)253-93-173(320)297-69-34-43-157(297)213(355)257-114(21)184(326)250-90-170(317)259-126(40-31-66-246-226(238)239)189(331)264-131(55-61-164(232)311)193(335)279-147(85-174(321)322)206(348)283-149(94-301)207(349)258-116(23)223(365)298-70-35-46-160(298)216(358)295-179(113(19)20)220(362)282-148(86-175(323)324)224(366)299-71-36-45-159(299)215(357)286-152(97-304)210(352)287-153(98-305)225(367)300-72-37-44-158(300)214(356)280-145(83-122-89-245-103-255-122)204(346)285-150(95-302)208(350)270-136(183(237)325)80-119-49-51-123(308)52-50-119/h27-28,38-39,49-52,87-89,102-118,126-161,176-182,249,301-308,369-370H,29-37,40-48,53-86,90-101H2,1-26H3,(H2,230,309)(H2,231,310)(H2,232,311)(H2,233,312)(H2,234,313)(H2,235,314)(H2,236,315)(H2,237,325)(H,244,254)(H,245,255)(H,250,326)(H,251,329)(H,252,359)(H,253,328)(H,256,330)(H,257,355)(H,258,349)(H,259,317)(H,260,318)(H,261,327)(H,262,345)(H,263,339)(H,264,331)(H,265,344)(H,266,353)(H,267,340)(H,268,360)(H,269,363)(H,270,350)(H,271,332)(H,272,334)(H,273,333)(H,274,341)(H,275,347)(H,276,342)(H,277,351)(H,278,336)(H,279,335)(H,280,356)(H,281,361)(H,282,362)(H,283,348)(H,284,343)(H,285,346)(H,286,357)(H,287,352)(H,288,364)(H,290,316)(H,291,319)(H,292,337)(H,293,338)(H,294,354)(H,295,358)(H,321,322)(H,323,324)(H4,238,239,246)(H4,240,241,247)(H4,242,243,248)(H2,289,296,368)/t114-,115-,116-,117+,118+,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-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,176-,177-,178-,179-,180-,181-,182-/m0/s1 |
InChiKey: | InChIKey=WDCWUJCOIFTXOS-RWSOKXQKSA-N |
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