basic_info |
|
| Product_Name: | 3-MERCAPTOPROPIONYL-PHE-CHA-CHA-ARG-LYS-PRO-ASN-ASP-LYS-NH2 |
| EnglishSynonyms: | 3-MERCAPTOPROPIONYL-PHE-CHA-CHA-ARG-LYS-PRO-ASN-ASP-LYS-NH2 |
| pro_mdlNumber: | MFCD05664729 |
| pro_acceptors: | 29 |
| pro_donors: | 16 |
| pro_smile: | c1ccc(cc1)C[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CCS |
| InChi: | InChI=1S/C61H100N16O13S/c62-27-12-10-22-40(52(65)82)70-58(88)47(36-51(80)81)75-57(87)46(35-49(64)78)76-59(89)48-25-15-30-77(48)60(90)42(23-11-13-28-63)72-53(83)41(24-14-29-68-61(66)67)71-55(85)44(33-38-18-6-2-7-19-38)74-56(86)45(34-39-20-8-3-9-21-39)73-54(84)43(69-50(79)26-31-91)32-37-16-4-1-5-17-37/h1,4-5,16-17,38-48,91H,2-3,6-15,18-36,62-63H2,(H2,64,78)(H2,65,82)(H,69,79)(H,70,88)(H,71,85)(H,72,83)(H,73,84)(H,74,86)(H,75,87)(H,76,89)(H,80,81)(H4,66,67,68)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1 |
| InChiKey: | InChIKey=GXNDFHLUZKVSTQ-UILVTTEASA-N |
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