이름: (4S)-1-[(2S,3S)-3-(N2 -t-butoxycarbonyl-L-asparaginyl)amino-2-hydroxy-4-phenylbutyryl]-4-chloro-N-t-butyl-L-prolinamide
SMILES:
CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C28H42ClN5O7
Molecular weight
596.13
Exact mass
595.2773
XLogP
0.97
TPSA
180.16
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
41
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.607
Molar refractivity
152.71
Supplementary Information
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