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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1cnn(C[C@@H]2[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(NC(=O)OC(C)(C)C)n3)C(=O)N2S(=O)(=O)O)n1- InChIKey
WCCLSPPYMSAHBZ-VFBXCDDLSA-N- Molecular formula
- C30H45N9O12S2
- Average molar mass
- 787.9 g/mol
- Monoisotopic mass
- 787.26291025
Names & identifiers
- Preferred name
- (2R,3S)-3-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetyl]amino]-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-2-yl]methyl]-4-oxoazetidine-1-sulfonic acid
- IUPAC
- (2R,3S)-3-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetyl]amino]-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-2-yl]methyl]-4-oxoazetidine-1-sulfonic acid
Names & synonyms
SCHEMBL17093960
Database identifiers
- PubChem CID
- 118379727
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 309 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 18
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,530
Related reactions
1 records
Compound notes
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