Название: (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-[(quinolin-8-ylamino)methyl]benzoyl]amino]pentanoic acid

SMILES: CC(C)(C)OC(=O)NCCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)CNC2=CC=CC3=C2N=CC=C3

Molecular Processing

Molecular formula

C27H32N4O5

Molecular weight

492.58

Exact mass

492.2373

XLogP

4.33

TPSA

129.65

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

0.333

Molar refractivity

137.87

Supplementary Information

InChIKey: SVYKLIHWNHLDGF-QFIPXVFZSA-N

Синонимы

SVYKLIHWNHLDGF-QFIPXVFZSA-NNalpha-(4-(8-quinolylaminomethyl)benzoyl)-Ndelta-Boc-L-ornithine