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507472-10-8 molecular structure
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(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(naphthalen-1-yl)propanoic acid

ChemBase ID: 812534
Molecular Formular: C28H23NO4
Molecular Mass: 437.48652
Monoisotopic Mass: 437.16270822
SMILES and InChIs

SMILES:
C(=O)(C[C@@H](c1c2ccccc2ccc1)NC(=O)OCC1c2ccccc2c2c1cccc2)O
Canonical SMILES:
O=C(N[C@H](c1cccc2c1cccc2)CC(=O)O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C28H23NO4/c30-27(31)16-26(24-15-7-9-18-8-1-2-10-19(18)24)29-28(32)33-17-25-22-13-5-3-11-20(22)21-12-4-6-14-23(21)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m0/s1
InChIKey:
YQHVLHLQDDNYKX-SANMLTNESA-N

Cite this record

CBID:812534 http://www.chembase.cn/molecule-812534.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(naphthalen-1-yl)propanoic acid
IUPAC Traditional name
(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(naphthalen-1-yl)propanoic acid
Synonyms
FMOC-(S)-3-AMINO-3-(1-NAPHTHYL)-PROPIONIC ACID
CAS Number
507472-10-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O32759 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O32759 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.421105  H Acceptors
H Donor LogD (pH = 5.5) 4.3751397 
LogD (pH = 7.4) 2.6156392  Log P 5.4872828 
Molar Refractivity 125.5156 cm3 Polarizability 51.151257 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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