C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@@H](C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)C[C@@]2(C)CC(=O)OC(C)(C)C
Nombre: tert-butyl 2-[(6R,8S)-8-methyl-4-oxo-6-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)phenyl]methylcarbamoyl]-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidin-8-yl]acetate
SMILES: C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@@H](C(=O)NCc1ccc(C(=N)NC(=O)OCc3ccccc3)cc1)C[C@@]2(C)CC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C42H46N6O8
Molecular weight
762.86
Exact mass
762.3377
XLogP
6.07
TPSA
182.01
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
56
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
209.02

Supplementary Information

InChIKey: ZSPYBIHZRMGORK-JQFVALKYSA-N
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