CAS: 551-16-6
이름: (2S,5R,6R)-6-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)N)C(=O)O)CMolecular Processing
Molecular formula
C8H12N2O3S
Molecular weight
216.26
Exact mass
216.0569
XLogP
-0.54
TPSA
83.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
51.7
Supplementary Information
InChIKey: NGHVIOIJCVXTGV-ALEPSDHESA-N
동의어
6-Aminopenicillanic acid551-16-66-ApaPenicinPenin6-ApsAminopenicillanic acid(+)-6-Aminopenicillanic acid(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidPhenacyl 6-aminopenicillinate6-Aminopenicillamine acid6-aminopenicillanateDTXSID7046097QR0C4R7XVNCHEBI:16705NSC-500716-amino-2,2-dimethylpenam-3alpha-carboxylic acid4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2S,5R,6R)-DTXCID5026097CHEBI:30938(2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-amino-3,3-dimethyl-7-oxo-, (2S,5R,6R)-6-APA cpdRefChem:913830208-993-4MFCD00005176AI3-525576-amino-penicillanic acid6beta-aminopenicillanic acid(2S,5R,6R)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
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