CC1(CC(N2C1=NC=C(C2=O)N(CC=C)C(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=N)NC(=O)OCC5=CC=CC=C5)N
Название: benzyl N-[(6S,8R)-8-amino-8-methyl-4-oxo-6-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)phenyl]methylcarbamoyl]-6,7-dihydropyrrolo[1,2-a]pyrimidin-3-yl]-N-prop-2-enylcarbamate
SMILES: CC1(CC(N2C1=NC=C(C2=O)N(CC=C)C(=O)OCC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)C(=N)NC(=O)OCC5=CC=CC=C5)N

Molecular Processing

Molecular formula
C36H37N7O6
Molecular weight
663.74
Exact mass
663.2805
XLogP
4.26
TPSA
181.73
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
49
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
182.74

Supplementary Information

InChIKey: ZPWCNLZXVISXEU-CZZIKKGSSA-N
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