COC(=O)NC(C(=O)NCCCC[C@@H](COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1
名称: (2S,2S)-2-benzyloxycarbonylamino-3-methyl-butyric acid 2-[(4-amino-benzenesulfonyl)-isobutyl-amino]-6-(2-methoxycarbonylamino-3,3-diphenyl-propionylamino)-hexyl ester
SMILES: COC(=O)NC(C(=O)NCCCC[C@@H](COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1

Molecular Processing

Molecular formula
C46H59N5O9S
Molecular weight
858.07
Exact mass
857.4033
XLogP
6.62
TPSA
195.46
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
22
Heavy atoms
61
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
233.64

Supplementary Information

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