Basic Information |
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Product Name: | LOPHYROTOMIN |
CAS: | 85932-85-0 |
English Synonyms: | LOPHYROTOMIN |
MDL Number.: | MFCD01939698 |
H bond acceptor: | 26 |
H bond donor: | 13 |
Smile: | CCC(C)[C@@H](C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)c2ccccc2 |
InChi: | InChI=1S/C48H65N9O17/c1-6-25(4)39(57-46(71)38(24(2)3)56-45(70)31(21-27-13-9-7-10-14-27)53-40(65)26(5)50-41(66)28-15-11-8-12-16-28)47(72)55-33(23-37(63)64)44(69)54-32(22-36(61)62)43(68)51-29(18-20-35(59)60)42(67)52-30(48(73)74)17-19-34(49)58/h7-16,24-26,29-33,38-39H,6,17-23H2,1-5H3,(H2,49,58)(H,50,66)(H,51,68)(H,52,67)(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,71)(H,59,60)(H,61,62)(H,63,64)(H,73,74)/t25?,26-,29-,30+,31-,32+,33-,38+,39+/m1/s1 |
InChiKey: | InChIKey=YJHPUIVTIUFFBX-PEKMAUQCSA-N |
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