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n-[(Benzyloxy)carbonyl]glycylserine

HCID 259595
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Basic information

CAS
4180-62-5
Standard SMILES
O=C(CNC(=O)OCc1ccccc1)NC(CO)C(=O)O
InChIKey
QJBVPDSNNNZVKZ-UHFFFAOYSA-N
Molecular formula
C13H16N2O6
Average molar mass
296.28 g/mol
Monoisotopic mass
296.10083623

Names & identifiers

Preferred name
n-[(Benzyloxy)carbonyl]glycylserine
IUPAC
3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
English name
Z-GLY-SER-OH
Molecular formula
C13H16N2O6
Molecular weight
296.28

Names & synonyms

n-[(benzyloxy)carbonyl]glycylserine4180-62-5NSC896313-hydroxy-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acidNCIOpen2_006161DTXSID70293447QJBVPDSNNNZVKZ-UHFFFAOYSA-NNSC-89631Z-Gly-Ser-OH (C-1920.0001)DB-050808N-({[(benzyloxy)carbonyl]amino}acetyl)serineN-(([(Benzyloxy)carbonyl]amino)acetyl)serine #
Show more names
Z-GLY-SER-OHZ-Gly-Gly-SerZ-Gly-L-Ser-OHCbz-Gly-L-Ser-OHZ-GLYCYL-L-SERINEN-CARBOBENZOXYGLYCYL-L-SERINEL-Serine, N-[(phenylmethoxy)carbonyl]glycyl- (9CI)2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-propionic acid3-hydroxy-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoic acid
2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-propanoic acidPropanoic acid, 3-hydroxy-2-[2-([benzyloxy)carbonyl]amino)acetyl)amino]

Database identifiers

CAS
4180-62-5
PubChem CID
259595
DTXSID
DTXSID70293447

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
125 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
21
Formal charge
0
Complexity
368

Physicochemical properties

Melting point
124 °C · 124 °C(Solv: ethyl acetate (141-78-6))
Boiling point
641.7 · 641.7±55.0 °C(Predicted)
Density
1.374 · 1.374±0.06 g/cm3(Predicted)
storage temp.
-15 °C · -15°C
pka
3.09 · 3.09±0.10(Predicted)

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