Basic information
- CAS
141044-51-1- Standard SMILES
CCC1(C)Oc2cc(c(S(=O)CC(O)CC(N)C(=O)O)cc2O)C(O)C(NC)C(=O)NC(C(C)C)C(=O)NC1C(=O)NCC(=O)O- InChIKey
QRLBQXQEGMBXFM-UHFFFAOYSA-N- Molecular formula
- C28H43N5O12S
- Average molar mass
- 673.7 g/mol
- Monoisotopic mass
- 673.262893
Names & identifiers
- Preferred name
- 2-Amino-5-[[4-(carboxymethylcarbamoyl)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-13-yl]sulfinyl]-4-hydroxypentanoic acid
- IUPAC
- 2-amino-5-[[4-(carboxymethylcarbamoyl)-3-ethyl-11,15-dihydroxy-3-methyl-10-(methylamino)-6,9-dioxo-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-13-yl]sulfinyl]-4-hydroxypentanoic acid
Database identifiers
- CAS
141044-51-1- PubChem CID
- 4480102
Properties
Computed structural properties
- XLogP
- -6.8
- Topological polar surface area
- 306 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,140
Experimental & physicochemical properties
Melting Point195 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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