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2-(((Benzyloxy)carbonyl)amino)-4-carbamoylbutanoic acid

HCID 302426
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2650-64-8
Standard SMILES
NC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)O
InChIKey
NWTYSIWMPYMZKK-UHFFFAOYSA-N
Molecular formula
C13H16N2O5
Average molar mass
280.28 g/mol

Names & identifiers

Preferred name
2-(((Benzyloxy)carbonyl)amino)-4-carbamoylbutanoic acid
IUPAC
5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
English name
Carbobenzoxy-DL-glutamine
Molecular formula
C13H16N2O5
Molecular weight
280.28

Names & synonyms

50516-14-82-{[(benzyloxy)carbonyl]amino}-4-carbamoylbutanoic acid2-(((Benzyloxy)carbonyl)amino)-4-carbamoylbutanoic acid2-[[(Benzyloxy)carbonyl]amino]-4-carbamoylbutanoic acidRefChem:446955962-512-9Carbobenzoxy-DL-glutamine5-Amino-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoic acidN~2~-[(benzyloxy)carbonyl]glutamine((Benzyloxy)carbonyl)glutamineDL-Glutamine, N2-[(phenylmethoxy)carbonyl]-N-DL-PhenylAc-Gln-OH
Show more names
Nα-Cbz-DL-glutamine((Benzyloxy)carbonyl)glutamine - [B88351]
Z-L-GlutamineN2-[(benzyloxy)carbonyl]glutamineMFCD000651025-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acidGlutamine, N2-[(phenylmethoxy)carbonyl]-glutamine, N~2~-[(phenylmethoxy)carbonyl]-Carbobenzyloxy-L-glutamineN-Benzyloxycarbonyl-L-glutamine

Database identifiers

CAS
2650-64-8、50516-14-8
PubChem CID
302426
ChEMBL
CHEMBL1161938
UNII
QF4DY99MG4
EC Number
962-512-9

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
20
Formal charge
0
Complexity
353

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H312-H332
Precautionary statements
261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H312-H332
Precautionary statements
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Chemistry & industry

Upstream & downstream products

Downstream products

Carbamic acid, (2,6-dioxo-3-piperidinyl)-, phenylmethyl ester (9CI)

Suppliers10 total

毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

Related reactions

10 records
New reaction record
HRID 95793 reaction equation
HRID 95793As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 195731 reaction equation
HRID 195731As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 196556 reaction equation
HRID 196556As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 198304 reaction equation
HRID 198304As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 315663 reaction equation
HRID 315663As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 959825 reaction equation
HRID 959825As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1147444 reaction equation
HRID 1147444As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1236727 reaction equation
HRID 1236727As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
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Compound notes

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