7-METHOXYCOUMARIN-4ACETYL-VAL-ASP-VAL-ALA-ASP-GLY-TRP-E-DNP-L-LYSINE-NH2

CAS No.
CCD No.
CCD03477846
Formula
C58 H71 N13 O20
MolWeight
1270.27

Basic Information

Product Name: 7-METHOXYCOUMARIN-4ACETYL-VAL-ASP-VAL-ALA-ASP-GLY-TRP-E-DNP-L-LYSINE-NH2
English Synonyms: CASPASE 2 SUBSTRATE (ICH-1) FLUOROGENIC ; MCA-VAL-ASP-VAL-ALA-ASP-GLY-TRP-DNP-LYS-NH2 ; 7-METHOXYCOUMARIN-4ACETYL-VAL-ASP-VAL-ALA-ASP-GLY-TRP-E-DNP-L-LYSINE-NH2
MDL Number.: MFCD17215322
H bond acceptor: 33
H bond donor: 13
Smile: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCCCNc3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NCC(=O)c4cc(=O)oc5c4ccc(c5)OC
InChi: InChI=1S/C58H71N13O20/c1-28(2)50(62-26-44(72)36-22-49(78)91-45-21-33(90-6)15-16-35(36)45)57(84)68-42(24-48(76)77)56(83)69-51(29(3)4)58(85)64-30(5)53(80)67-41(23-47(74)75)54(81)63-27-46(73)65-40(19-31-25-61-37-12-8-7-11-34(31)37)55(82)66-39(52(59)79)13-9-10-18-60-38-17-14-32(70(86)87)20-43(38)71(88)89/h7-8,11-12,14-17,20-22,25,28-30,39-42,50-51,60-62H,9-10,13,18-19,23-24,26-27H2,1-6H3,(H2,59,79)(H,63,81)(H,64,85)(H,65,73)(H,66,82)(H,67,80)(H,68,84)(H,69,83)(H,74,75)(H,76,77)/t30-,39-,40-,41-,42-,50-,51-/m0/s1
InChiKey: InChIKey=WTQDYLJGPJELFI-BXIRZCRHSA-N

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