N-benzyloxycarbonyl-L-isoleucine

HCID 102945

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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

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Related reactions

9 records

Compound notes

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