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(Q82997348)
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English
4-Iminohomoseryl-N-{2-[(1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)propanoyl}-N-methylprolinamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
447.21178364800005
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₉N₅O₆
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canonical SMILES
CC(=O)NC(Cc1ccc(O)cc1)C(=O)N(C)C(=O)C1CCCN1C(=O)C(N)CC(N)=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)N
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Identifiers
InChI
InChI=1S/C21H29N5O6/c1-12(27)24-16(10-13-5-7-14(28)8-6-13)20(31)25(2)21(32)17-4-3-9-26(17)19(30)15(22)11-18(23)29/h5-8,15-17,28H,3-4,9-11,22H2,1-2H3,(H2,23,29)(H,24,27)/t15-,16-,17-/m0/s1
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InChIKey
KTSBIEDXOOPHGM-ULQDDVLXSA-N
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CAS Registry Number
82867-71-8
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PubChem CID
134114
1 reference
matched by identifier from
InChIKey
InChIKey
KTSBIEDXOOPHGM-ULQDDVLXSA-N
UniChem compound ID
43543476
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID201002978
1 reference
matched by identifier from
InChIKey
InChIKey
KTSBIEDXOOPHGM-ULQDDVLXSA-N
DSSTOX compound identifier
DTXCID801429906
0 references
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