Name: Z-Ile-Thr(tBu)-Thr(tBu)-Lys(Boc)-OPh
SMILES:
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Oc1ccccc1)[C@@H](C)OC(C)(C)C)[C@@H](C)OC(C)(C)CMolecular Processing
Molecular formula
C47H73N5O11
Molecular weight
884.12
Exact mass
883.5307
XLogP
6.49
TPSA
208.72
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
22
Heavy atoms
63
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.617
Molar refractivity
239.56
Supplementary Information
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