Nombre: (2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]butanoic acid

SMILES: CC(C)(C)OC(=O)NCCC(C(=O)O)NC(=O)C1=CC=C(C=C1)CNC(=O)OC(C)(C)C

Molecular Processing

Molecular formula

C22H33N3O7

Molecular weight

451.52

Exact mass

451.2319

XLogP

2.81

TPSA

143.06

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

0.545

Molar refractivity

117.26

Supplementary Information

InChIKey: UDSLSGRELKCFFS-INIZCTEOSA-N

Sinónimos

UDSLSGRELKCFFS-INIZCTEOSA-N(S)-2-(4-(N-Boc-aminomethyl)benzoylamino)-4-(N-Boc-amino)butyric Acid