C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NN)[C@@H](C)OC(C)(C)C
Name: Z-Thr(tBu)-Tyr(tBu)-Thr(tBu)-Gln-Asn-Phe-NH-NH2
SMILES: C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NN)[C@@H](C)OC(C)(C)C

Molecular Processing

Molecular formula
C55H80N10O13
Molecular weight
1089.3
Exact mass
1088.5906
XLogP
1.91
TPSA
352.82
H-bond donors
10
H-bond acceptors
14
Rotatable bonds
28
Heavy atoms
78
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
23
Covalent units
1
Fraction Csp3
0.509
Molar refractivity
289.05

Supplementary Information

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