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2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid

HCID 4623908
NotesReactions

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

Basic information

CAS
119273-61-9
Standard SMILES
CC(C)(C)OC(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIKey
NBVVKAUSAGHTSU-UHFFFAOYSA-N
Molecular formula
C20H23NO4
Average molar mass
341.4 g/mol
Monoisotopic mass
341.16270822

Names & identifiers

Preferred name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic Acid
IUPAC
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
English name
3-Biphenyl-4-yl-2-tert-butoxycarbonylamino-propionic acid
Molecular formula
C20H23NO4
Molecular weight
341.4

Names & synonyms

119273-61-92-(Boc-amino)-3-(biphenyl-4-yl)propanoic acid3-([1,1'-Biphenyl]-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic AcidBoc-3-(4-Biphenylyl)-L-alanine[1,1'-Biphenyl]-4-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-Boc-3-(4-Biphenylyl)-D-alanineBoc-beta-(4-biphenylyl)-Ala-OH;Boc-Bip-OHBOC-P-PHENYL-L-PHENYLALANINENBVVKAUSAGHTSU-UHFFFAOYSA-NXP4K7Q2JB3Boc-DL-4,4'-biphenylalanine
Show more names
DL-3-(BIPHENYL-4-YL)-2-(BOC-AMINO)PROPANOIC ACID3-Biphenyl-4-yl-2-tert-butoxycarbonylamino-propionic acidα-[[(1,1-Dimethylethoxy)carbonyl]amino][1,1'-biphenyl]-4-propanoic acid[1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-
SCHEMBL13251813-biphenyl-4-yl-2-tert-butoxycarbonylaminopropionic acidDTXSID504050062-(tert-butoxycarbonylamino)-3-(4-phenylphenyl)propanoic acidBOC-P-PHENYL-D-PHENYLALANINEMFCD03425235AKOS030228367AB04545

Properties

Computed structural propertiesFilling in

XLogP
3.4
Topological polar surface area
75.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Formal charge
0
Complexity
443

Physicochemical properties

storage temp.
Store at Room Tem.
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

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

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Suppliers11 total

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]

Related reactions

8 records
New reaction record
HRID 121324 reaction equation
HRID 121324As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 148837 reaction equation
HRID 148837As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 366201 reaction equation
HRID 366201As reactantuspto-grants-2000_10
HRID 495796 reaction equation
HRID 495796As reactantuspto-grants-2005_09
HRID 1152185 reaction equation
HRID 1152185As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1268572 reaction equation
HRID 1268572As reactantuspto-grants-2003_04
HRID 1601959 reaction equation
HRID 1601959As reactantuspto-grants-1999_11
HRID 2158343 reaction equation
HRID 2158343As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
119273-61-9
PubChem CID
4623908
DTXSID
DTXSID50405006
UNII
XP4K7Q2JB3