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(Q72440202)
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English
(2R)-2-Amino-N-(3-octylphenyl)-3-(phosphonooxy)-propanamide
chemical compound
VPC 23019
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
372.18140865799995
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
VPC23019
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₉N₂O₅P
0 references
canonical SMILES
CCCCCCCCc1cccc(NC(=O)C(N)COP(=O)(O)O)c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCc1cccc(NC(=O)[C@H](N)COP(=O)(O)O)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)19-17(20)16(18)13-24-25(21,22)23/h8,10-12,16H,2-7,9,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
0 references
InChIKey
MRUSUGVVWGNKFE-MRXNPFEDSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
449173-19-7
0 references
PubChem CID
11588811
1 reference
matched by identifier from
InChIKey
InChIKey
MRUSUGVVWGNKFE-MRXNPFEDSA-N
136212600
1 reference
matched by identifier from
InChIKey
InChIKey
MRUSUGVVWGNKFE-MRXNPFEDSA-N
ChEBI ID
144948
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)19-17(20)16(18)13-24-25(21,22)23/h8,10-12,16H,2-7,9,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
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