Basic information
- CAS
24692-58-8- Standard SMILES
COC(=O)CNC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(C)C- InChIKey
TVCNPXGWXYJWMS-WMZOPIPTSA-N- Molecular formula
- C21H29N3O6
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.20563565
Names & identifiers
- Preferred name
- Methyl 1-[(benzyloxy)carbonyl]prolylvalylglycinate
- IUPAC
- benzyl 2-[[1-[(2-methoxy-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
- English name
- N-[N-[1-(Benzyloxycarbonyl)prolyl]valyl]glycine methyl ester
- Molecular formula
- C21H29N3O6
- Molecular weight
- 419.47
Names & synonyms
24692-58-8NSC 334183Methyl 1-[(benzyloxy)carbonyl]prolylvalylglycinateMethyl 1-((benzyloxy)carbonyl)prolylvalylglycinateNSC334183DTXSID10947634NSC-334183N-[N-[1-(Benzyloxycarbonyl)prolyl]valyl]glycine methyl ester1-[(Benzyloxy)carbonyl]-N-{1-hydroxy-1-[(2-methoxy-2-oxoethyl)imino]-3-methylbutan-2-yl}pyrrolidine-2-carboximidic acidbenzyl 2-[[1-[(2-methoxy-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]pyrrolidine-1-carboxylateGlycine, N-[N-[1-[(phenylmethoxy)carbonyl]-L-prolyl]-L-valyl]-, methyl ester (9CI)
Database identifiers
- CAS
24692-58-8- PubChem CID
- 333395
- DTXSID
DTXSID10947634
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 618
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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