Название: tert-butyl (3S)-3-[[2-[[amino-[(4-nitrophenyl)methoxycarbonylamino]methylidene]amino]acetyl]amino]pyrrolidine-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNC(=N)NC(=O)OCc2ccc([N+](=O)[O-])cc2)C1

Molecular Processing

Molecular formula

C20H28N6O7

Molecular weight

464.48

Exact mass

464.2019

XLogP

1.47

TPSA

175.99

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

0.5

Molar refractivity

116.5

Supplementary Information

InChIKey: NRDTZADLCNNSDW-AWEZNQCLSA-N

Синонимы

SCHEMBL7458615NRDTZADLCNNSDW-AWEZNQCLSA-N(S)-1-(t-butyloxycarbonyl)-3-[2-[3-(4-nitrobenzyloxycarbonyl)guanidino]acetylamino]pyrrolidine