basic_info |
|
| Product_Name: | AGFVLKGYTKTSQ |
| EnglishSynonyms: | SALMOCIDIN-2B ; AGFVLKGYTKTSQ |
| pro_mdlNumber: | MFCD18252124 |
| pro_acceptors: | 35 |
| pro_donors: | 21 |
| pro_smile: | CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)N |
| InChi: | InChI=1S/C64H102N16O19/c1-33(2)27-44(76-61(95)51(34(3)4)78-58(92)45(28-38-15-9-8-10-16-38)71-49(86)30-69-54(88)35(5)67)57(91)73-41(17-11-13-25-65)55(89)70-31-50(87)72-46(29-39-19-21-40(84)22-20-39)59(93)80-52(36(6)82)62(96)74-42(18-12-14-26-66)56(90)79-53(37(7)83)63(97)77-47(32-81)60(94)75-43(64(98)99)23-24-48(68)85/h8-10,15-16,19-22,33-37,41-47,51-53,81-84H,11-14,17-18,23-32,65-67H2,1-7H3,(H2,68,85)(H,69,88)(H,70,89)(H,71,86)(H,72,87)(H,73,91)(H,74,96)(H,75,94)(H,76,95)(H,77,97)(H,78,92)(H,79,90)(H,80,93)(H,98,99)/t35-,36+,37+,41-,42-,43-,44-,45-,46-,47-,51-,52-,53-/m0/s1 |
| InChiKey: | InChIKey=SRIVUMYLRBADPK-OJPZJIHJSA-N |
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