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1432-27-5 molecular structure
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(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoic acid

ChemBase ID: 102496
Molecular Formular: C13H15N3O3
Molecular Mass: 261.2765
Monoisotopic Mass: 261.11134136
SMILES and InChIs

SMILES:
NCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O
Canonical SMILES:
NCC(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2
InChI:
InChI=1S/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKey:
AJHCSUXXECOXOY-NSHDSACASA-N

Cite this record

CBID:102496 http://www.chembase.cn/molecule-102496.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoic acid
IUPAC Traditional name
(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanoic acid
Synonyms
GLY-TRP
GLYCYL-L-TRYPTOPHAN
CAS Number
1432-27-5
2390-74-1
EC Number
219-235-7
PubChem SID
162088668
PubChem CID
92181

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 92181 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.816128  H Acceptors
H Donor LogD (pH = 5.5) -2.1960578 
LogD (pH = 7.4) -2.256272  Log P -2.1930501 
Molar Refractivity 69.0063 cm3 Polarizability 27.980402 Å3
Polar Surface Area 108.21 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02101894 external link
Crystalline
MP Biomedicals - 05213557 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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