Basic Information |
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| Product Name： | BIOTIN-A-CGRP (HUMAN) |
| English Synonyms： | BIOTIN-A-CGRP (HUMAN) |
| MDL Number.： | MFCD20265158 |
| H bond acceptor： | 104 |
| H bond donor： | 59 |
| Smile： | C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC(=O)O)NC(=O)[C@H](C)NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](C(C)C)C(=O)N6CCC[C@H]6C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc7ccccc7)C(=O)N)[C@@H](C)O |
| InChi： | InChI=1S/C173H281N53O51S3/c1-78(2)56-102(196-124(239)69-188-139(245)86(17)193-148(254)103(57-79(3)4)203-146(252)99(46-37-53-185-171(180)181)198-151(257)106(61-96-66-184-77-191-96)209-168(274)136(93(24)233)224-165(271)131(84(13)14)218-160(266)116-76-280-279-75-115(213-140(246)87(18)192-122(237)50-32-31-49-118-137-114(74-278-118)215-173(277)225-137)159(265)208-110(65-127(242)243)156(262)222-133(90(21)230)166(272)195-89(20)142(248)221-134(91(22)231)169(275)214-116)149(255)204-104(58-80(5)6)150(256)212-113(73-229)158(264)200-100(47-38-54-186-172(182)183)147(253)211-111(71-227)143(249)189-67-123(238)187-68-126(241)216-129(82(9)10)164(270)219-130(83(11)12)163(269)201-98(45-34-36-52-175)145(251)206-107(62-119(176)234)153(259)207-108(63-120(177)235)152(258)205-105(60-95-42-29-26-30-43-95)154(260)220-132(85(15)16)170(276)226-55-39-48-117(226)161(267)223-135(92(23)232)167(273)210-109(64-121(178)236)155(261)217-128(81(7)8)162(268)190-70-125(240)197-112(72-228)157(263)199-97(44-33-35-51-174)144(250)194-88(19)141(247)202-101(138(179)244)59-94-40-27-25-28-41-94/h25-30,40-43,66,77-93,97-118,128-137,227-233H,31-39,44-65,67-76,174-175H2,1-24H3,(H2,176,234)(H2,177,235)(H2,178,236)(H2,179,244)(H,184,191)(H,187,238)(H,188,245)(H,189,249)(H,190,268)(H,192,237)(H,193,254)(H,194,250)(H,195,272)(H,196,239)(H,197,240)(H,198,257)(H,199,263)(H,200,264)(H,201,269)(H,202,247)(H,203,252)(H,204,255)(H,205,258)(H,206,251)(H,207,259)(H,208,265)(H,209,274)(H,210,273)(H,211,253)(H,212,256)(H,213,246)(H,214,275)(H,216,241)(H,217,261)(H,218,266)(H,219,270)(H,220,260)(H,221,248)(H,222,262)(H,223,267)(H,224,271)(H,242,243)(H4,180,181,185)(H4,182,183,186)(H2,215,225,277)/t86-,87-,88-,89-,90+,91+,92+,93+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-/m0/s1 |
| InChiKey： | InChIKey=IDRSXEXGULDMCL-SXDPTGTMSA-N |
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