CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
CAS: 69-53-4
名称: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C

Molecular Processing

Molecular formula
C16H19N3O4S
Molecular weight
349.41
Exact mass
349.1096
XLogP
0.32
TPSA
112.73
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
89.03

Supplementary Information

InChIKey: AVKUERGKIZMTKX-NJBDSQKTSA-N
同義語
ampicillin69-53-4AminobenzylpenicillinAmpicillin acidTokiocillinAmpicillineSemicillinUltrabionanhydrous ampicillinAmpicillin AnhydrousAmfipenSynpeninD-AmpicillinAmpicillinumTotalciclinaAmpicilinaAmpipeninAmplisomBritacilCopharcilinDoktacillinGuicitrinaPenbristolRoscillinUltrabronViccillinAmpimedAmpivetNuvapenPentrex
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