CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)CN1C=CN=C1CN(CCCCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC5=NC=CN5CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
名称: 6-[bis[[1-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]methyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
SMILES: CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)CN1C=CN=C1CN(CCCCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC5=NC=CN5CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C57H78N8O14
Molecular weight
1099.29
Exact mass
1098.5637
XLogP
6.27
TPSA
260.33
H-bond donors
2
H-bond acceptors
16
Rotatable bonds
25
Heavy atoms
79
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
22
Covalent units
1
Fraction Csp3
0.544
Molar refractivity
288.59

Supplementary Information

InChIKey: AUEZUFVRNQQLMI-UHFFFAOYSA-N
同義語
SCHEMBL1741968AUEZUFVRNQQLMI-UHFFFAOYSA-N2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-6-(bis((1-(2-(bis(2-tert-butoxy-2-oxoethyl)amino)-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)hexanoic acid
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