CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)OCc1ccccc1
Name: Boc-Leu-Ala-Gly-Gln-D-Arg(NO2)-OBzl
SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C34H54N10O11
Molecular weight
778.87
Exact mass
778.3974
XLogP
-0.39
TPSA
315.17
H-bond donors
9
H-bond acceptors
12
Rotatable bonds
22
Heavy atoms
55
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
21
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
196.85

Supplementary Information

Details werden geladen…

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