MMP SUBSTRATE III, FLUOROGENIC

CAS No.
193475-71-7
CCD No.
CCD00286041
Formula
C63 H87 N15 O14 S
MolWeight
1310.54

Basic Information

Product Name: MMP SUBSTRATE III, FLUOROGENIC
CAS: 193475-71-7
English Synonyms: MMP SUBSTRATE III, FLUOROGENIC ; TNO211 ; DABCYL-GABA-PQGL-E(EDANS)-AK-NH2 ; DABCYL-(GAMMA-ABU)-PQGL-E(EDANS)AK-NH2 ; DABCYL-GABA-PRO-GLN-GLY-LEU-GLU(EDANS)-ALA-LYS-NH2 ; DABCYL-(GAMMA-ABU)-PRO-GLN-GLY-LEU-GLU(EDANS)-ALA-LYS-NH2
MDL Number.: MFCD02094711
H bond acceptor: 29
H bond donor: 11
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)OS(=O)(=O)c1cccc2c1cccc2CCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)CCCNC(=O)c4ccc(cc4)/N=N/c5ccc(cc5)N(C)C
InChi: InChI=1S/C63H87N15O14S/c1-38(2)36-50(62(88)73-49(61(87)70-39(3)58(84)72-47(57(67)83)15-6-7-32-64)28-30-56(82)92-93(90,91)52-17-9-13-45-40(31-33-65)12-8-14-46(45)52)71-54(80)37-69-60(86)48(27-29-53(66)79)74-63(89)51-16-11-35-78(51)55(81)18-10-34-68-59(85)41-19-21-42(22-20-41)75-76-43-23-25-44(26-24-43)77(4)5/h8-9,12-14,17,19-26,38-39,47-51H,6-7,10-11,15-16,18,27-37,64-65H2,1-5H3,(H2,66,79)(H2,67,83)(H,68,85)(H,69,86)(H,70,87)(H,71,80)(H,72,84)(H,73,88)(H,74,89)/b76-75+/t39-,47-,48-,49-,50-,51-/m0/s1
InChiKey: InChIKey=IZGNTKLGZGISLF-JVNGXTIHSA-N

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