Nom: methyl 2-[2-[[(2R)-6-amino-1-[5-(2,6-dimethoxy-4-methylphenyl)pentylamino]-1-oxohexan-2-yl]carbamoyl]indol-1-yl]acetate

SMILES: CC1=CC(=C(C(=C1)OC)CCCCCNC(=O)C(CCCCN)NC(=O)C2=CC3=CC=CC=C3N2CC(=O)OC)OC

Molecular Processing

Molecular formula

C32H44N4O6

Molecular weight

580.73

Exact mass

580.3261

XLogP

3.9

TPSA

133.91

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.469

Molar refractivity

162.96

Supplementary Information

InChIKey: MKXPQBAUYOJENK-RUZDIDTESA-N

Synonymes

MKXPQBAUYOJENK-RUZDIDTESA-Nmethyl (R)-{2-[N-{1-[(2,6-dimethoxy-4-methylphenyl)pentylcarbamoyl]-5-aminopentyl}carbamoyl]indol-1-yl}acetate