Molecular Structure:
CCD No.:CCD00561924
WAAG-3R, AGGRECANASE (ADAM-TS-4) FRET SUBSTRATE
Formula:C69 H109 N23 O24
MolWeight:1644.76
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| Product Name： | WAAG-3R, AGGRECANASE (ADAM-TS-4) FRET SUBSTRATE |
| English Synonyms： | ABZ-THR-GLU-GLY-GLU-ALA-ARG-GLY-SER-VAL-ILE-DAP(DNP)-LYS-LYS-NH2 ; WAAG-3R, AGGRECANASE (ADAM-TS-4) FRET SUBSTRATE ; ABZ-TEGEARGSVI-DAP(DNP)-KK-NH2 ; B WAAG-3R, ADAM-TS-4 FRET SUBSTRATE |
| MDL Number.： | MFCD06796079 |
| H bond acceptor： | 47 |
| H bond donor： | 25 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccccc2N |
| InChi： | InChI=1S/C69H109N23O24/c1-7-35(4)55(67(111)87-47(30-77-41-21-20-38(91(113)114)29-49(41)92(115)116)64(108)85-44(18-11-13-27-71)63(107)83-42(57(73)101)17-10-12-26-70)89-66(110)54(34(2)3)88-65(109)48(33-93)82-51(96)32-78-60(104)43(19-14-28-76-69(74)75)84-58(102)36(5)80-62(106)46(23-25-53(99)100)81-50(95)31-79-61(105)45(22-24-52(97)98)86-68(112)56(37(6)94)90-59(103)39-15-8-9-16-40(39)72/h8-9,15-16,20-21,29,34-37,42-48,54-56,77,93-94H,7,10-14,17-19,22-28,30-33,70-72H2,1-6H3,(H2,73,101)(H,78,104)(H,79,105)(H,80,106)(H,81,95)(H,82,96)(H,83,107)(H,84,102)(H,85,108)(H,86,112)(H,87,111)(H,88,109)(H,89,110)(H,90,103)(H,97,98)(H,99,100)(H4,74,75,76)/t35-,36-,37+,42-,43-,44-,45-,46-,47-,48-,54-,55-,56-/m0/s1 |
| InChiKey： | InChIKey=IVQACLFRHJPSHA-WLSNAMILSA-N |
Basic Information
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