Basic Information |
|
| Product Name： | BIOTIN-INTERMEDIN (RAT) |
| English Synonyms： | BIOTIN-INTERMEDIN (RAT) |
| MDL Number.： | MFCD20265154 |
| H bond acceptor： | 143 |
| H bond donor： | 79 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N6CCC[C@H]6C(=O)N[C@@H](Cc7c[nH]cn7)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc8ccc(cc8)O)C(=O)N)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](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| InChi： | InChI=1S/C236H377N77O66S3/c1-109(2)76-141(292-224(372)183(118(19)20)306-215(363)160(103-380)271-175(328)95-264-221(369)180(115(13)14)303-197(345)134(45-33-69-259-234(249)250)275-200(348)142(77-110(3)4)284-201(349)143(78-111(5)6)282-194(342)135(58-62-169(237)322)272-188(336)120(23)268-199(347)148(84-125-91-253-106-265-125)290-216(364)163-47-35-71-309(163)177(330)53-29-28-52-168-186-162(105-382-168)301-236(379)308-186)189(337)262-96-176(329)302-185(122(25)320)226(374)300-161(104-381)214(362)277-138(61-65-172(240)325)198(346)304-181(116(15)16)222(370)278-137(60-64-171(239)324)196(344)288-151(87-173(241)326)207(355)285-145(80-113(9)10)203(351)295-157(100-317)212(360)287-149(85-126-92-254-107-266-126)205(353)274-133(44-32-68-258-233(247)248)192(340)281-144(79-112(7)8)202(350)286-147(83-124-90-261-130-41-27-26-40-129(124)130)204(352)276-136(59-63-170(238)323)195(343)283-146(81-114(11)12)209(357)305-182(117(17)18)223(371)279-139(46-34-70-260-235(251)252)228(376)311-73-37-49-165(311)218(366)297-154(97-314)190(338)263-94-174(327)270-131(42-30-66-256-231(243)244)191(339)273-132(43-31-67-257-232(245)246)193(341)289-152(88-178(331)332)208(356)294-155(98-315)210(358)269-121(24)227(375)310-72-36-51-167(310)220(368)307-184(119(21)22)225(373)293-153(89-179(333)334)229(377)312-74-38-50-166(312)219(367)298-158(101-318)213(361)299-159(102-319)230(378)313-75-39-48-164(313)217(365)291-150(86-127-93-255-108-267-127)206(354)296-156(99-316)211(359)280-140(187(242)335)82-123-54-56-128(321)57-55-123/h26-27,40-41,54-57,90-93,106-122,131-168,180-186,261,314-321,380-381H,28-39,42-53,58-89,94-105H2,1-25H3,(H2,237,322)(H2,238,323)(H2,239,324)(H2,240,325)(H2,241,326)(H2,242,335)(H,253,265)(H,254,266)(H,255,267)(H,262,337)(H,263,338)(H,264,369)(H,268,347)(H,269,358)(H,270,327)(H,271,328)(H,272,336)(H,273,339)(H,274,353)(H,275,348)(H,276,352)(H,277,362)(H,278,370)(H,279,371)(H,280,359)(H,281,340)(H,282,342)(H,283,343)(H,284,349)(H,285,355)(H,286,350)(H,287,360)(H,288,344)(H,289,341)(H,290,364)(H,291,365)(H,292,372)(H,293,373)(H,294,356)(H,295,351)(H,296,354)(H,297,366)(H,298,367)(H,299,361)(H,300,374)(H,302,329)(H,303,345)(H,304,346)(H,305,357)(H,306,363)(H,307,368)(H,331,332)(H,333,334)(H4,243,244,256)(H4,245,246,257)(H4,247,248,258)(H4,249,250,259)(H4,251,252,260)(H2,301,308,379)/t120-,121-,122+,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-,162-,163-,164-,165-,166-,167-,168-,180-,181-,182-,183-,184-,185-,186-/m0/s1 |
| InChiKey： | InChIKey=BWGNFKCLFPTLCN-NKPODOCHSA-N |
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