490 MMP FRET SUBSTRATE V

945414-97-1

MFCD03093871

C76 H109 N21 O15

1556.83

InChI=1S/C76H109N21O15/c1-7-20-53(69(102)90-58(40-46-43-84-50-22-11-10-21-48(46)50)71(104)87-52(67(78)100)23-13-16-35-82-56-42-64(99)111-62-41-47(94(5)6)29-30-49(56)62)88-68(101)45(4)85-70(103)57(39-44(2)3)91-73(106)61-27-19-38-96(61)75(108)55(24-12-14-33-77)89-72(105)60-26-18-37-95(60)74(107)54(25-17-36-83-76(79)80)86-63(98)28-9-8-15-34-81-51-31-32-59(97(109)110)66-65(51)92-112-93-66/h10-11,21-22,29-32,41-45,52-55,57-58,60-61,81-82,84H,7-9,12-20,23-28,33-40,77H2,1-6H3,(H2,78,100)(H,85,103)(H,86,98)(H,87,104)(H,88,101)(H,89,105)(H,90,102)(H,91,106)(H4,79,80,83)/t45-,52-,53-,54-,55-,57-,58-,60-,61-/m0/s1

InChIKey=QRLIHHPEMQDDKF-ZLWIRCQQSA-N

CCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCCCNc3cc(=O)oc4c3ccc(c4)N(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNc7ccc(c8c7non8)[N+](=O)[O-]

H bond donor:15

H bond acceptor:36

XLogP3:0.0

Bulk/Fine:F