basic_info |
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| Product_Name: | MCA-TYR-VAL-ALA-ASP-ALA-PRO-LYS(DNP)-OH |
| CAS: | 189696-01-3 |
| EnglishSynonyms: | MCA-YVADAPK(DNP)-NH2 ; CASPASE-1 SUBSTRATE V, FLUOROGENIC ; MCA-TYR-VAL-ALA-ASP-ALA-PRO-LYS(DNP)-OH ; MCA-YVADAPK(DNP)-OH ; ANGIOTENSIN I CONVERTING ENZYME 2, CASPASE-1 SUBSTRATE ; ANGIOTENSIN I CONVERTING ENZYME 2, ACE-2/CASPASE-1 SUBSTRATE ; CASPASE-1 SUBSTRATE (MCA) ; CASPASE-1 SUBSTRATE IX, FLUOROGENIC ; ICE SUBSTRATE V, FLUOROGENIC ; MCA-TYR-VAL-ALA-ASP-ALA-PRO-LYS(DNP) ; MCA-YVADAP-K(DNP) |
| pro_mdlNumber: | MFCD00798784 |
| pro_acceptors: | 29 |
| pro_donors: | 10 |
| pro_smile: | CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])C(=O)O)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)Cc4cc(=O)oc5c4ccc(c5)OC |
| InChi: | InChI=1S/C53H64N10O19/c1-27(2)46(60-49(71)38(21-30-11-14-33(64)15-12-30)57-43(65)22-31-23-45(68)82-42-25-34(81-5)16-17-35(31)42)51(73)55-28(3)47(69)59-39(26-44(66)67)48(70)56-29(4)52(74)61-20-8-10-40(61)50(72)58-37(53(75)76)9-6-7-19-54-36-18-13-32(62(77)78)24-41(36)63(79)80/h11-18,23-25,27-29,37-40,46,54,64H,6-10,19-22,26H2,1-5H3,(H,55,73)(H,56,70)(H,57,65)(H,58,72)(H,59,69)(H,60,71)(H,66,67)(H,75,76)/t28-,29-,37-,38-,39-,40-,46-/m0/s1 |
| InChiKey: | InChIKey=XLXKHBNLWUCNOC-XUFBPUFYSA-N |
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