CC1(CC(N2C1=NC=C(C2=O)N(CC=C)C(=O)OCC3=CC=CC=C3)C(=O)O)N=[N+]=[N-]
Nombre: (6S,8R)-8-azido-8-methyl-4-oxo-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid
SMILES: CC1(CC(N2C1=NC=C(C2=O)N(CC=C)C(=O)OCC3=CC=CC=C3)C(=O)O)N=[N+]=[N-]

Molecular Processing

Molecular formula
C20H20N6O5
Molecular weight
424.42
Exact mass
424.1495
XLogP
3.13
TPSA
150.49
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
110.45

Supplementary Information

InChIKey: FCYIBWLOFDIOHC-VBKZILBWSA-N
Sinónimos
FCYIBWLOFDIOHC-VBKZILBWSA-N(6S,8R)-3-(allyl-benzyloxycarbonyl-amino)-8-azido-8-methyl-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine-6-carboxylic Acid
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