MetaADEDB 2.0 @ LMMD
(2S,5R,6R)-6-[[(2S)-2-[(4-Ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(OMHKGGVTRDBBEJ-WVPIKCCXSA-N)
Structure
SMILES
OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1.CCN1CCN(C(=O)C1=O)C(=O)N[C@](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)(c1ccccc1)C
Molecular Formula:
C34H41N9O12S2
Molecular Weight:
831.872
Log P:
0.0248
Hydrogen Bond Acceptor:
22
Hydrogen Bond Donor:
4
TPSA:
312.57
CAS Number(s):
N/A
Synonym(s)
1.
(2S,5R,6R)-6-[[(2S)-2-[(4-Ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
External Link(s)
PubChem Compound461573
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Nephritis allergicFAERS: 1US FAERS
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