CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)N
名称: (2S)-2-amino-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)N

Molecular Processing

Molecular formula
C35H55N5O5S
Molecular weight
657.92
Exact mass
657.3924
XLogP
4.45
TPSA
127.09
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
17
Heavy atoms
46
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.657
Molar refractivity
182.08

Supplementary Information

InChIKey: BSXWEXOBQZMXID-RWBRZFBUSA-N
同義語
SCHEMBL14956953BSXWEXOBQZMXID-RWBRZFBUSA-NN-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide
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