Basic information
- CAS
71800-39-0- Standard SMILES
CC(C)CC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(N)=O- InChIKey
JCFAUIGZYQYJPD-UHFFFAOYSA-N- Molecular formula
- C20H31N3O4
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.23145648
Names & identifiers
- Preferred name
- n-[(Benzyloxy)carbonyl]leucylleucinamide
- IUPAC
- benzyl N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
- English name
- Carbobenzyloxyleucylleucinamide
- Molecular formula
- C20H31N3O4
- Molecular weight
- 377.48
Names & synonyms
71800-39-0n-[(benzyloxy)carbonyl]leucylleucinamideNSC89646DTXSID60293451NSC-89646NSC 89646Cbz-Leu-Leu-NH2CarbobenzyloxyleucylleucinamideN-[(Phenylmethoxy)carbonyl]-L-leucyl-L-leucinamideL-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-
Database identifiers
- CAS
71800-39-0- PubChem CID
- 259607
- DTXSID
DTXSID60293451
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Melting point
- 212 · 212-213 °C(Solv: methanol (67-56-1))
- Boiling point
- 613.5 · 613.5±50.0 °C(Predicted)
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- pka
- 11.14 · 11.14±0.46(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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