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(Q76805444)
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English
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
364.17466986799997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₂₄N₄O₅
0 references
canonical SMILES
CC(N)C(=O)NC(CCC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N
0 references
Identifiers
InChI
InChI=1S/C17H24N4O5/c1-10(18)15(23)20-12(7-8-14(19)22)16(24)21-13(17(25)26)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,18H2,1H3,(H2,19,22)(H,20,23)(H,21,24)(H,25,26)/t10-,12-,13-/m0/s1
0 references
InChIKey
JPGBXANAQYHTLA-DRZSPHRISA-N
0 references
PubChem CID
90684373
1 reference
matched by identifier from
InChIKey
InChIKey
JPGBXANAQYHTLA-DRZSPHRISA-N
ChEBI ID
158118
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H24N4O5/c1-10(18)15(23)20-12(7-8-14(19)22)16(24)21-13(17(25)26)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,18H2,1H3,(H2,19,22)(H,20,23)(H,21,24)(H,25,26)/t10-,12-,13-/m0/s1
UniChem compound ID
100140044
1 reference
stated in
UniChem
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