83960-27-4
N-DANSYL-D-ALA-GLY-4-NITRO-PHE-GLY
Name
N-DANSYL-D-ALA-GLY-4-NITRO-PHE-GLY
Formula
C28 H32 N6 O9 S
MolWeight
628.66
1Identification
【Name】
N-DANSYL-D-ALA-GLY-4-NITRO-PHE-GLY
【CAS】
【MDL】
MFCD00133590
【English Synonyms】
【Formula】
C28 H32 N6 O9 S
【MolWeight】
628.66
【Inchi】
InChI=1S/C28H32N6O9S/c1-17(32-44(42,43)24-9-5-6-20-21(24)7-4-8-23(20)33(2)3)27(38)29-15-25(35)31-22(28(39)30-16-26(36)37)14-18-10-12-19(13-11-18)34(40)41/h4-13,17,22,32H,14-16H2,1-3H3,(H,29,38)(H,30,39)(H,31,35)(H,36,37)/t17-,22+/m1/s1
【InChIKey】
InChIKey=MIHGGGACSSHXPY-VGSWGCGISA-N
【SMILES】
C[C@H](C(=O)NCC(=O)N[C@@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)NCC(=O)O)NS(=O)(=O)c2cccc3c2cccc3N(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:15
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-DANSYL-D-ALA-GLY-4-NITRO-PHE-GLY.cml
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