CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Name: (6R)-7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Molecular Processing

Molecular formula
C10H12N6O3S2
Molecular weight
328.38
Exact mass
328.0412
XLogP
-1.12
TPSA
127.23
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
75.25

Supplementary Information

InChIKey: XUTQHTOXGKVJPN-XCGJVMPOSA-N
Synonyme
SCHEMBL61557657-Amino-3-(1-methyltetrazol-5-ylthiomethyl)-3-cephem-4-carboxylicacidXUTQHTOXGKVJPN-XCGJVMPOSA-N3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-7-amino-3-cephem-4carboxylic acid3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-7amino-3-cephem-4-carboxylic acid3-(1-methyl-1H-tetrazol-5-yl)thiomethyl7-amino-3-cephem-4-carboxylic acid3-(1-methyl1H-tetrazol-5-yl)thiomethyl-7-amino-3-cephem-4-carboxylic acid7-amino-3-(1-methyl-tetrazol-5-ylthio)methylceph-3-em-4-carboxylic acid3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-7-amino-3-cephem-4-carboxylic acid3-[(1-methyl-1H-tetrazol-5-yl)-thiomethyl]-7-amino-ceph-3-eme-4-carboxylic acid7-amino-3-(1-methyl-1 H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid7-amino-3-(1-methyl-1H-tetrazol-5 -yl)thiomethyl-3-cephem-4-carboxylic acid7-amino-3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4 -carboxylic acid7-amino-3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid7-amino-3-(1-methyl-1H-tetrazol-5-ylthio)methylceph-3-em-4-carboxylic acid7-amino-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)-thiomethyl]-3-cephem-4-carboxylic acid7-amino-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)thiomethyl]-3-cephem-4-carboxylic acid7-amino-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]ceph-3-em-4-carboxylic acid
Quelle anzeigen →
An 139 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→