名称: ethyl 2-[[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]decanoate
SMILES:
CCCCCCCCC(C(=O)OCC)NC1CSC2=CC=CC=C2N(C1=O)CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C27H42N2O5S
Molecular weight
506.71
Exact mass
506.2814
XLogP
5.11
TPSA
84.94
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
35
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
140.7
Supplementary Information
InChIKey: NCBQEZWLRWQCTJ-UHFFFAOYSA-N
同義語
SCHEMBL11009796NCBQEZWLRWQCTJ-UHFFFAOYSA-N3-(1-ethoxycarbonylnonylamino)-5-t-butoxycarbonylmethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
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