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Basic information
- Standard SMILES
CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3N)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)C(N)=O- InChIKey
QRCNRLHPPJZRDP-NGNCNNPFSA-N- Molecular formula
- C37H35N11O6S3
- Average molar mass
- 825.9 g/mol
- Monoisotopic mass
- 825.1933914
Names & identifiers
- Preferred name
- (6R,7R)-7-[[(2Z)-2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-[(1-aminotetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- (6R,7R)-7-[[(2Z)-2-(1-amino-2-methyl-1-oxopropan-2-yl)oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-3-[(1-aminotetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- PubChem CID
- 13262002
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 325 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 15
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,520
Related reactions
1 records
Compound notes
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