Completing data — usually done within a minute
Basic information
- CAS
3160-59-6- Standard SMILES
CCC(C)C(NC(=O)OCc1ccccc1)C(=O)O- InChIKey
JSHXJPFZKBRLFU-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
Names & identifiers
- Preferred name
- N-benzyloxycarbonyl-L-isoleucine
- IUPAC
- 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Names & synonyms
N-Benzyloxycarbonyl-L-isoleucineEINECS 221-611-0L-Isoleucine, N-((phenylmethoxy)carbonyl)-RefChem:829272221-611-0Monomethyl auristatin E intermediate-3Z-L-Isoleucine2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoic acid2-(((Benzyloxy)carbonyl)amino)-3-methylpentanoic acidCbz-D-Ile-OH(2R,3R)-2-Benzyloxycarbonylamino-3-methyl-pentanoic acidN-benzyl-oxycarbonylisoleucine
Show more names
3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acidSCHEMBL5145628DTXSID80953565N-benzyloxycarbonyl-DL-isoleucineIsoleucine, N-carboxy-, N-benzyl ester, D- (8CI);N-(Benzyloxycarbonyl)-D-isoleucineJSHXJPFZKBRLFU-UHFFFAOYSA-NSBB057708AKOS000120791
Database identifiers
- CAS
3160-59-6- PubChem CID
- 102945
- DTXSID
DTXSID80953565- EC Number
- 221-611-0
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
9 records
Compound notes
Loading…