CC(C)(C)OC(=O)CN1C=CN=C1CN(CCCCC(C(=O)OC(C)(C)C)NC(=O)NC(CCC(=O)O)C(=O)OC(C)(C)C)CC2=NC=CN2CC(=O)OC(C)(C)C
Nombre: (4S)-4-[[(2S)-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILES: CC(C)(C)OC(=O)CN1C=CN=C1CN(CCCCC(C(=O)OC(C)(C)C)NC(=O)NC(CCC(=O)O)C(=O)OC(C)(C)C)CC2=NC=CN2CC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C40H65N7O11
Molecular weight
820
Exact mass
819.4742
XLogP
4.52
TPSA
222.51
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
20
Heavy atoms
58
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
211.91

Supplementary Information

InChIKey: BPYUHKIJYXVDHA-NSOVKSMOSA-N
Sinónimos
SCHEMBL2834575BPYUHKIJYXVDHA-NSOVKSMOSA-N(S)-4-(3-((S)-6-(bis((1-(2-tert-butoxy-2-oxoethyl)-1H-imidazol-2-yl)methyl)amino)-1-tert-butoxy-1-oxohexan-2-yl)ureido)-5-tert-butoxy-5-oxopentanoic acid
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