CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)O
名称: Boc-Tyr-DAla-Phe-Met-OH
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)O

Molecular Processing

Molecular formula
C31H42N4O8S
Molecular weight
630.76
Exact mass
630.2723
XLogP
2.38
TPSA
183.16
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
44
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
167.22

Supplementary Information

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