Basic information
- CAS
3504-37-8- Standard SMILES
COC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1- InChIKey
FYKHRTVYUNLJLJ-ROUUACIJSA-N- Molecular formula
- C21H32N2O5
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
- IUPAC
- methyl 4-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
- English name
- N-Cbz-Leu-Leu methyl ester
- Molecular formula
- C21H32N2O5
- Molecular weight
- 392.49
Names & synonyms
3504-37-8methyl 4-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoateNSC360210SCHEMBL26292318DTXSID70956469STK672138AKOS005592788NSC-360210methyl N-[(benzyloxy)carbonyl]leucylleucinateSR-01000512680SR-01000512680-12-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-(1-methoxy-4-methyl-1-oxopentan-2-yl)-4-methylpentanimidic acid
Show more names
Z-LEU-LEU-OMEZ-LEU-LEU METHYL ESTERN-Cbz-Leu-Leu methyl esterZ-LEUCYL-L-LEUCINE METHYL ESTERN-carbobenzyloxy-Leu-Leu methyl esterN-BENZYLOXYCARBONYL-L-LEUCYL-L-LEUCINE METHYL ESTERL-Leucine, N-[(phenylmethoxy)carbonyl]-L-leucyl-, methyl ester2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-valeric acid methyl ester
Database identifiers
- CAS
3504-37-8- PubChem CID
- 434890
- DTXSID
DTXSID70956469
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 501
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 546.5 · 546.5±40.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 11.13 · 11.13±0.46(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
Chemistry & industry
Suppliers3 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
4 records
Compound notes
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