Basic Information |
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| Product Name： | BIBAPCITIDE |
| CAS： | 153507-46-1 |
| English Synonyms： | BIBAPCITIDE |
| MDL Number.： | MFCD09837718 |
| H bond acceptor： | 79 |
| H bond donor： | 38 |
| Smile： | CC(=O)NCSC[C@@H](C(=O)NCC(=O)N[C@@H](CCSNC(=O)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CSC1CC(=O)N(C1=O)COCN2C(=O)CC(C2=O)SC[C@@H](C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCSNC(=O)C)NC(=O)CNC(=O)[C@H](CSCNC(=O)C)NC(=O)CNC(=O)CNC(=O)[C@@H]3CSCC(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3)CC(=O)O)CSCCCN)Cc4ccc(cc4)O)C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@@H]5CSCC(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N5)CC(=O)O)CSCCCN)Cc6ccc(cc6)O |
| InChi： | InChI=1S/C112H162N36O43S10/c1-55(149)129-51-196-45-71(139-85(161)35-119-81(157)31-123-105(183)75-43-194-49-91(167)135-65(23-59-7-11-61(153)12-8-59)107(185)141-73(41-192-19-5-17-113)103(181)127-39-89(165)133-67(25-95(171)172)109(187)143-75)101(179)125-37-87(163)131-63(15-21-200-145-57(3)151)99(177)121-29-79(155)117-33-83(159)137-69(97(115)175)47-198-77-27-93(169)147(111(77)189)53-191-54-148-94(170)28-78(112(148)190)199-48-70(98(116)176)138-84(160)34-118-80(156)30-122-100(178)64(16-22-201-146-58(4)152)132-88(164)38-126-102(180)72(46-197-52-130-56(2)150)140-86(162)36-120-82(158)32-124-106(184)76-44-195-50-92(168)136-66(24-60-9-13-62(154)14-10-60)108(186)142-74(42-193-20-6-18-114)104(182)128-40-90(166)134-68(26-96(173)174)110(188)144-76/h7-14,63-78,153-154H,5-6,15-54,113-114H2,1-4H3,(H2,115,175)(H2,116,176)(H,117,155)(H,118,156)(H,119,157)(H,120,158)(H,121,177)(H,122,178)(H,123,183)(H,124,184)(H,125,179)(H,126,180)(H,127,181)(H,128,182)(H,129,149)(H,130,150)(H,131,163)(H,132,164)(H,133,165)(H,134,166)(H,135,167)(H,136,168)(H,137,159)(H,138,160)(H,139,161)(H,140,162)(H,141,185)(H,142,186)(H,143,187)(H,144,188)(H,145,151)(H,146,152)(H,171,172)(H,173,174)/t63-,64-,65+,66+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77?,78?/m0/s1 |
| InChiKey： | InChIKey=HVMVFSCDYJNBTQ-BAULTAKCSA-N |
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