CC(C)(C)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C(C(=O)O)CC2CCCCC21
Nombre: 1-[2-[[2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SMILES: CC(C)(C)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1C(C(=O)O)CC2CCCCC21

Molecular Processing

Molecular formula
C28H41N5O5
Molecular weight
527.67
Exact mass
527.3108
XLogP
2.93
TPSA
141.59
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
139.88

Supplementary Information

InChIKey: QGZPXUJAAYNHGL-UHFFFAOYSA-N
Sinónimos
SCHEMBL3046143QGZPXUJAAYNHGL-UHFFFAOYSA-N1-(2-{2-Cyclohexyl-2-[(pyrazine-2-carbonyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-octahydro-indole-2-carboxylic acid
Ver fuente →
Participa en 3 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→