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65309-11-7 molecular structure
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(2S)-2-[(3S)-3-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid

ChemBase ID: 175545
Molecular Formular: C19H19N3O6
Molecular Mass: 385.37066
Monoisotopic Mass: 385.12738534
SMILES and InChIs

SMILES:
c1(ccc(cc1)[C@@H](N)C(=O)N[C@H]1CN(C1=O)[C@@H](c1ccc(cc1)O)C(=O)O)O
Canonical SMILES:
Oc1ccc(cc1)[C@H](C(=O)N[C@H]1CN(C1=O)[C@@H](c1ccc(cc1)O)C(=O)O)N
InChI:
InChI=1S/C19H19N3O6/c20-15(10-1-5-12(23)6-2-10)17(25)21-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14-16,23-24H,9,20H2,(H,21,25)(H,27,28)/t14-,15+,16-/m0/s1
InChIKey:
SAVAPYNOQXYBJS-XHSDSOJGSA-N

Cite this record

CBID:175545 http://www.chembase.cn/molecule-175545.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-[(3S)-3-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
IUPAC Traditional name
(S)-[(3S)-3-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl](4-hydroxyphenyl)acetic acid
Synonyms
(αR,3S)-3-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-α-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic Acid
[3S-[1(S*),3R*(S*)]]-3-[[Amino(4-hydroxyphenyl)acetyl]amino]-α-(4-hydroxyphenyl)-2-oxo-1-azetidineacetic Acid
Antibiotic FR 29644
FR 29644
Nocardicin G
CAS Number
65309-11-7
PubChem SID
164231455
PubChem CID
13942923

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N634080 external link Add to cart
PubChem 13942923 external link
Data Source Data ID Price
TRC
N634080 external link Add to cart Please log in.
Data Source Data ID
PubChem 13942923 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.0554538  H Acceptors
H Donor LogD (pH = 5.5) -2.0936182 
LogD (pH = 7.4) -2.3581088  Log P -2.0930903 
Molar Refractivity 96.961 cm3 Polarizability 37.832565 Å3
Polar Surface Area 153.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N634080 external link
Nocardicin G is a β-lactam antibiotic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Aoki, H., et al.: J. Antibiot., 29, 492 (1976)
  • • Mendez, R., et al.: Chem. Pharm. Bull., 40, 3222 (1976)
  • • Reeve, A., et al.: J. Biol. Chem., 273, 30695 (1976)
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PATENTS

PATENTS

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INTERNET

INTERNET

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