Nom: (2S)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]methyl]benzoyl]amino]-5-(quinolin-8-ylamino)pentanoic acid

SMILES: CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)C(=O)NC(CCCNC2=CC=CC3=C2N=CC=C3)C(=O)O)CC4=CC=CC=N4

Molecular Processing

Molecular formula

C33H37N5O5

Molecular weight

583.69

Exact mass

583.2795

XLogP

5.64

TPSA

133.75

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

0.303

Molar refractivity

164.52

Supplementary Information

InChIKey: QUHZMVHBPDYPJE-NDEPHWFRSA-N

Synonymes

QUHZMVHBPDYPJE-NDEPHWFRSA-N(S)-2-(4-(N-Boc-N-2-picolylaminomethyl)benzoylamino)-5-(quinolin-8-ylamino)valeric Acid