BIOT-ADSFSLNDALSGSGN-AMIDE_Chemical Cloud Database

BIOT-ADSFSLNDALSGSGN-AMIDE

Basic Information
Product Name：	BIOT-ADSFSLNDALSGSGN-AMIDE
English Synonyms：	GALACTOSE-SPECIFIC LECTIN 3 (2-16) BIOTINYL/AMIDE ; BIOT-ADSFSLNDALSGSGN-AMIDE
MDL Number.：	MFCD08274043
H bond acceptor：	47
H bond donor：	26
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChi：	InChI=1S/C69H106N20O27S/c1-30(2)16-36(63(110)85-43(26-91)60(107)74-24-52(98)78-42(25-90)59(106)73-23-51(97)77-35(56(72)103)19-48(70)94)79-58(105)33(6)76-61(108)40(21-53(99)100)84-65(112)39(20-49(71)95)83-62(109)37(17-31(3)4)81-67(114)44(27-92)86-64(111)38(18-34-12-8-7-9-13-34)82-68(115)45(28-93)87-66(113)41(22-54(101)102)80-57(104)32(5)75-50(96)15-11-10-14-47-55-46(29-117-47)88-69(116)89-55/h7-9,12-13,30-33,35-47,55,90-93H,10-11,14-29H2,1-6H3,(H2,70,94)(H2,71,95)(H2,72,103)(H,73,106)(H,74,107)(H,75,96)(H,76,108)(H,77,97)(H,78,98)(H,79,105)(H,80,104)(H,81,114)(H,82,115)(H,83,109)(H,84,112)(H,85,110)(H,86,111)(H,87,113)(H,99,100)(H,101,102)(H2,88,89,116)/t32-,33-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,55-/m0/s1
InChiKey：	InChIKey=HZYHLFKGDFIPBT-XYFWVSDHSA-N

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