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(Q107894507)
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English
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
311.115758024
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Fmoc-D-alanine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₇NO₄
1 reference
PubChem CID
6364642
retrieved
12 June 2021
canonical SMILES
CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
1 reference
PubChem CID
6364642
retrieved
12 June 2021
isomeric SMILES
C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
1 reference
PubChem CID
6364642
retrieved
12 June 2021
melting point
145±0.5
degree Celsius
1 reference
stated in
Melting Point and Pyrolysis Point Data for Tens of Thousands of Chemicals
Identifiers
InChI
InChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
1 reference
PubChem CID
6364642
retrieved
12 June 2021
InChIKey
QWXZOFZKSQXPDC-NSHDSACASA-N
1 reference
PubChem CID
6364642
retrieved
12 June 2021
CAS Registry Number
35661-39-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
6364642
1 reference
retrieved
12 June 2021
SureChEMBL ID
SCHEMBL119044
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QWXZOFZKSQXPDC-NSHDSACASA-N
UniChem compound ID
24280530
1 reference
stated in
UniChem
NMRShiftDB structure ID
20206243
1 reference
matched by identifier from
InChIKey
InChIKey
QWXZOFZKSQXPDC-NSHDSACASA-N
UNII
352A2N82BU
1 reference
matched by identifier from
InChIKey
InChIKey
QWXZOFZKSQXPDC-NSHDSACASA-N
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