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1-Azetidineacetic acid, 3-(((4-((3R)-3-amino-3-carboxypropoxy)phenyl)oxoacetyl)amino)-alpha-(4-hydroxyphenyl)-2-oxo-, (alphaR,3S)-

HCID 3045997
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
61425-17-0
Standard SMILES
N[C@H](CCOc1ccc(C(=O)C(=O)N[C@H]2CN([C@@H](C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)O
InChIKey
QJZHIGKJGFPGRN-FGTMMUONSA-N
Molecular formula
C23H23N3O9
Average molar mass
485.4 g/mol
Monoisotopic mass
485.14342932

Overview

Nocardicin D is a monobactam.

Names & identifiers

Preferred name
1-Azetidineacetic acid, 3-(((4-((3R)-3-amino-3-carboxypropoxy)phenyl)oxoacetyl)amino)-alpha-(4-hydroxyphenyl)-2-oxo-, (alphaR,3S)-
IUPAC
(2R)-2-amino-4-[4-[2-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]amino]-2-oxoacetyl]phenoxy]butanoic acid
English name
Nocardicin D
Molecular formula
C23H23N3O9
Molecular weight
485.44

Names & synonyms

Nocardicin D61425-17-0DTXSID40210368(2R)-2-amino-4-[4-[2-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]amino]-2-oxoacetyl]phenoxy]butanoic acid(2R)-2-amino-4-(4-(2-(((3S)-1-((R)-carboxy-(4-hydroxyphenyl)methyl)-2-oxoazetidin-3-yl)amino)-2-oxoacetyl)phenoxy)butanoic acidRefChem:1054872DTXCID401328591-Azetidineacetic acid, 3-(((4-((3R)-3-amino-3-carboxypropoxy)phenyl)oxoacetyl)amino)-alpha-(4-hydroxyphenyl)-2-oxo-, (alphaR,3S)-Antibiotic FR 29055BRN 3578368FR-290551-Azetidineacetic acid, 3-(((4-(3-amino-3-carboxypropoxy)phenyl)oxoacetyl)amino)-alpha-(4-hydroxyphenyl)-2-oxo-, (3S-(1(S*),3R*(S*)))-
Show more names
(αR,3S)-3-[[[4-[(3R)-3-AMino-3-carboxypropoxy]phenyl]oxoacetyl]aMino]-α-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic Acid1-Azetidineacetic acid, 3-[[[4-[(3R)-3-amino-3-carboxypropoxy]phenyl]oxoacetyl]amino]-α-(4-hydroxyphenyl)-2-oxo-, (αR,3S)- (9CI)
SCHEMBL29885865CHEBI:81023O-(4-(2-(((S)-1-((R)-Carboxy(4-hydroxyphenyl)methyl)-2-oxoazetidin-3-yl)amino)-2-oxoacetyl)phenyl)-D-homoserineC17353Q27154981O-{4-[({(3S)-1-[(R)-Carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)(oxo)acetyl]phenyl}-D-homoserine

Properties

Computed structural properties

XLogP
-1.9
Topological polar surface area
197 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
35
Formal charge
0
Complexity
819

Chemistry & industry

Applications

UsesNocardicin D is a β-lactam antibiotic.

Suppliers2 total

凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]

Additional notes

DefinitionChEBI: Nocardicin D is a monobactam.

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
61425-17-0
PubChem CID
3045997
DTXSID
DTXSID40210368
ChEBI
CHEBI:81023
Nikkaji
J18.366K