Basic information
- Standard SMILES
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)O- InChIKey
JSHXJPFZKBRLFU-JQWIXIFHSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
Names & identifiers
- Preferred name
- N-[(Phenylmethoxy)carbonyl]-L-isoleucine
- IUPAC
- (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Names & synonyms
3160-59-6N-[(Phenylmethoxy)carbonyl]-L-isoleucineN-((Phenylmethoxy)carbonyl)-L-isoleucineRefChem:359732Cbz-L-IsoleucineN-Cbz-L-isoleucineZ-Ile-OHZ-L-IsoleucineN-Carbobenzoxy-L-isoleucineN-Carbobenzyloxy-L-isoleucineMFCD00027064UPCMLD00WV-81:002
Show more names
(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoic acid(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acidSCHEMBL221435((Benzyloxy)carbonyl)-L-isoleucine(2S,3S)-2-(((BENZYLOXY)CARBONYL)AMINO)-3-METHYLPENTANOIC ACIDAKOS015836889Nalpha -Benzyloxycarbonyl-L-isoleucineHY-78897
Database identifiers
- CAS
3160-59-6- PubChem CID
- 2724772
- ChEMBL
CHEMBL1221958- UNII
- TK7LE9K5EV
- EC Number
- 221-611-0
- Nikkaji
- J80.652H
Properties
Computed structural properties
- 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
20 records
Linked notes
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