Name: benzyl (2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
SMILES:
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3Molecular Processing
Molecular formula
C26H32N2O5
Molecular weight
452.55
Exact mass
452.2311
XLogP
3.86
TPSA
84.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
124.28
Supplementary Information
InChIKey: MBOFRGUFKSOFGH-YADHBBJMSA-N
Synonyme
Boc-D-Phe-Pro-OBnBoc-D-Phe-Pro-OBzlBoc-(D)Phe-Pro-OBzlSCHEMBL7148899MBOFRGUFKSOFGH-YADHBBJMSA-N
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