COC(=O)[C@H](CCCC(N)C(=O)OC(C)(C)C)NNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])nn3Cc3ccc(OC)cc3)nn2Cc2ccc(OC)cc2)nn1Cc1ccc(OC)cc1
名称: 1-(4-methoxybenzyl)-3-(1-(4-methoxybenzyl)-3-(1-(4-methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxamido)-1H-pyrazole-5-carboxamido)-1H-pyrazole-5-carboxamido-6-(tert-butoxycarbonyl)-lysine methyl ester
SMILES: COC(=O)[C@H](CCCC(N)C(=O)OC(C)(C)C)NNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])nn3Cc3ccc(OC)cc3)nn2Cc2ccc(OC)cc2)nn1Cc1ccc(OC)cc1

Molecular Processing

Molecular formula
C48H56N12O12
Molecular weight
993.05
Exact mass
992.4141
XLogP
4.47
TPSA
302.24
H-bond donors
5
H-bond acceptors
17
Rotatable bonds
23
Heavy atoms
72
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
24
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
259.61

Supplementary Information

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