N-[(Phenylmethoxy)carbonyl]-L-isoleucine

HCID 2724772CAS 3160-59-6

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

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Related reactions

20 records

Linked notes

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